Showing Compound Amidosulfonic acid (FDB013393)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:41 UTC

Update date

2015-07-20 22:58:41 UTC

Primary ID

FDB013393

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Amidosulfonic acid

Description

Amidosulfonic acid, also known as sulfamic acid or sulfamate, belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. Amidosulfonic acid is an extremely strong acidic compound (based on its pKa). Amidosulfonic acid is a bland and fatty tasting compound.

CAS Number

5329-14-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
[S(NH2)O2(OH)]	ChEBI
Amidoschwefelsaeure	ChEBI
Amidosulfuric acid	ChEBI
Aminosulfonic acid	ChEBI
Imidosulfonic acid	ChEBI
Sulfamidic acid	ChEBI
Sulfamidsaeure	ChEBI
Sulfaminic acid	ChEBI
Sulphamic acid	ChEBI
Sulphamidic acid	ChEBI
Amidosulfate	Generator
Amidosulphate	Generator
Amidosulphuric acid	Generator
Aminosulfonate	Generator
Aminosulphonate	Generator
Aminosulphonic acid	Generator
Imidosulfonate	Generator
Imidosulphonate	Generator
Imidosulphonic acid	Generator
Sulfamidate	Generator
Sulphamidate	Generator
Sulphamidsaeure	Generator
Sulfaminate	Generator
Sulphaminate	Generator
Sulphaminic acid	Generator
Sulfamate	Generator
Sulfamic acid	Generator
Sulphamate	Generator
Amidosulfonate	Generator
Amidosulphonate	Generator
Amidosulphonic acid	Generator
7773-06-0 (mono-Ammonium salt)	HMDB
Amidohydroxidodioxidosulfur	HMDB
Aminosulfuric acid	HMDB
Jumbo	HMDB
Sulfamic acid, acs	HMDB
Sulfamic acid, reag	HMDB
Sulfuramidic acid	HMDB
Sulfamic acid, monopotassium salt	HMDB
Sulfamic acid, nickel (+2) salt (2:1)	HMDB
Sulfamic acid, tin (+2) salt	HMDB
Sulfamic acid, zinc (2:1) salt	HMDB
Ammate	HMDB
Sulfamic acid, magnesium salt (2:1)	HMDB
Sulfamic acid, monoammonium salt	HMDB
Ammonium sulfamate	HMDB
Sulfamic acid, indium (+3) salt	HMDB
Amidosulfonic acid	MeSH
7773-06-0 (mono-ammonium salt)	biospider
aminoSulfonate	Generator
aminoSulphonate	Generator
aminoSulphonic acid	Generator
Sulfamic acid [UN2967] [Corrosive]	biospider
Sulphamic-acid-	biospider

Predicted Properties

Property	Value	Source
logP	-1.4	ChemAxon
pKa (Strongest Acidic)	-1.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	80.39 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	15.31 m³·mol⁻¹	ChemAxon
Polarizability	6.97 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Chemical Formula

H3NO3S

IUPAC name

sulfamic acid

InChI Identifier

InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)

InChI Key

IIACRCGMVDHOTQ-UHFFFAOYSA-N

Isomeric SMILES

NS(O)(=O)=O

Average Molecular Weight

97.094

Monoisotopic Molecular Weight

96.983363657

Classification

Description

belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal oxides

Direct Parent

Other non-metal oxides

Alternative Parents

Substituents

Other non-metal oxide
Sulfuric acid monoamide
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

sulfamic acids (CHEBI:9330 )

Ontology

Disposition

Source:

Biological location:

Organ and components:

Biofluid and excreta:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Biological role:

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	H 3.11%; N 14.43%; O 49.43%; S 33.03%	DFC
Melting Point	Mp 205° dec.	DFC
Boiling Point	Not Available
Experimental Water Solubility	147 mg/mL at 0 oC	SHIU,WY et al. (1990)
Experimental logP	0.10	BELL,EB (1983)
Experimental pKa	pKa 0.99 (25°)	DFC
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9000000000-b80de3cb8454bb1abeb5	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-efeb3d84c84231391b2f	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-040d54c18f68ee2f3646	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-ff40a709e1e93f1f4c0c	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-89cae7eef527dd2813be	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-2741d39506877b30d906	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-3f3ec45c890281a9c57c	JSpectraViewer

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

9330

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB34830

CRC / DFC (Dictionary of Food Compounds) ID

HVD22-K:HVD22-K

EAFUS ID

3571

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1284941

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
bland	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
fatty	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference