Record Information
Version1.0
Creation date2010-04-08 22:10:41 UTC
Update date2015-07-20 22:58:41 UTC
Primary IDFDB013393
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmidosulfonic acid
DescriptionAmidosulfonic 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 Number5329-14-6
Structure
Thumb
Synonyms
SynonymSource
[S(NH2)O2(OH)]ChEBI
AmidoschwefelsaeureChEBI
Amidosulfuric acidChEBI
Aminosulfonic acidChEBI
Imidosulfonic acidChEBI
Sulfamidic acidChEBI
SulfamidsaeureChEBI
Sulfaminic acidChEBI
Sulphamic acidChEBI
Sulphamidic acidChEBI
AmidosulfateGenerator
AmidosulphateGenerator
Amidosulphuric acidGenerator
AminosulfonateGenerator
AminosulphonateGenerator
Aminosulphonic acidGenerator
ImidosulfonateGenerator
ImidosulphonateGenerator
Imidosulphonic acidGenerator
SulfamidateGenerator
SulphamidateGenerator
SulphamidsaeureGenerator
SulfaminateGenerator
SulphaminateGenerator
Sulphaminic acidGenerator
SulfamateGenerator
Sulfamic acidGenerator
SulphamateGenerator
AmidosulfonateGenerator
AmidosulphonateGenerator
Amidosulphonic acidGenerator
7773-06-0 (mono-Ammonium salt)HMDB
AmidohydroxidodioxidosulfurHMDB
Aminosulfuric acidHMDB
JumboHMDB
Sulfamic acid, acsHMDB
Sulfamic acid, reagHMDB
Sulfuramidic acidHMDB
Sulfamic acid, monopotassium saltHMDB
Sulfamic acid, nickel (+2) salt (2:1)HMDB
Sulfamic acid, tin (+2) saltHMDB
Sulfamic acid, zinc (2:1) saltHMDB
AmmateHMDB
Sulfamic acid, magnesium salt (2:1)HMDB
Sulfamic acid, monoammonium saltHMDB
Ammonium sulfamateHMDB
Sulfamic acid, indium (+3) saltHMDB
Amidosulfonic acidMeSH
7773-06-0 (mono-ammonium salt)biospider
aminoSulfonateGenerator
aminoSulphonateGenerator
aminoSulphonic acidGenerator
Sulfamic acid [UN2967] [Corrosive]biospider
Sulphamic-acid-biospider
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)-1.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.39 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity15.31 m³·mol⁻¹ChemAxon
Polarizability6.97 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaH3NO3S
IUPAC namesulfamic acid
InChI IdentifierInChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
InChI KeyIIACRCGMVDHOTQ-UHFFFAOYSA-N
Isomeric SMILESNS(O)(=O)=O
Average Molecular Weight97.094
Monoisotopic Molecular Weight96.983363657
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'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative Parents
Substituents
  • Other non-metal oxide
  • Sulfuric acid monoamide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionH 3.11%; N 14.43%; O 49.43%; S 33.03%DFC
Melting PointMp 205° dec.DFC
Boiling PointNot Available
Experimental Water Solubility147 mg/mL at 0 oCSHIU,WY et al. (1990)
Experimental logP0.10BELL,EB (1983)
Experimental pKapKa 0.99 (25°)DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-b80de3cb8454bb1abeb5JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-efeb3d84c84231391b2fJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-040d54c18f68ee2f3646JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-ff40a709e1e93f1f4c0cJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-89cae7eef527dd2813beJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-2741d39506877b30d906JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-3f3ec45c890281a9c57cJSpectraViewer
ChemSpider ID5767
ChEMBL IDCHEMBL68253
KEGG Compound IDC01614
Pubchem Compound ID5987
Pubchem Substance IDNot Available
ChEBI ID9330
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34830
CRC / DFC (Dictionary of Food Compounds) IDHVD22-K:HVD22-K
EAFUS ID3571
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1284941
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
bland
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
fatty
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference