Record Information
Version1.0
Creation date2010-04-08 22:08:04 UTC
Update date2015-07-20 22:22:19 UTC
Primary IDFDB008419
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium cyclamate
DescriptionSodium cyclamate belongs to the class of organic compounds known as cyclamates. Cyclamates are compounds containing a cyclohexylsulfamic acid moiety. Sodium cyclamate is an extremely weak basic (essentially neutral) compound (based on its pKa). Sodium cyclamate is a bitter tasting compound.
CAS Number139-05-9
Structure
Thumb
Synonyms
SynonymSource
Sodium cyclamic acidGenerator
CyclamatesMeSH
Cyclamate, calciumMeSH
Cyclamate calcium (2:1) saltMeSH
Cyclamate, potassiumMeSH
Calcium cyclamateMeSH
Cyclamate, calcium (2:1) salt, dihydrateMeSH
CyclamateMeSH
Cyclamate, sodium saltMeSH
Cyclamate, sodiumMeSH
Cyclamic acidMeSH
Potassium cyclamateMeSH
Assugrinbiospider
Assurgrin feinsussbiospider
Assurgrin vollsussbiospider
Ciclamato sodicobiospider
Ciclamato sodico [dcit]biospider
Cyclamate de sodiumbiospider
Cyclamate sodiumbiospider
Cyclamate sodium/ saccharin sodiumbiospider
Cyclamic acid sodium saltbiospider
Cyclohexanesulfamic acid sodium saltbiospider
Cyclohexanesulfamic acid, monosodium saltbiospider
Cyclohexanesulfamic acid, sodium saltbiospider
Cyclohexanesulphamic acid, monosodium saltbiospider
Cyclohexylsulfamate sodiumbiospider
Cyclohexylsulfamic acid, monosodium saltbiospider
Cyclohexylsulfamic acid, sodium saltbiospider
Cyclohexylsulphamate sodiumbiospider
Cyclohexylsulphamic acid, monosodium saltbiospider
Dulzor-etasbiospider
Hachi-sugarbiospider
Ibiosucbiospider
Monosodium cyclohexylsulfamatebiospider
N-cyclohexylsulfamic acid sodium saltbiospider
N-cyclohexylsulphamic acid sodium saltbiospider
N-cyklohexylsulfamat sodnybiospider
Natraiumcyclohexylamidosulfatbiospider
NatrII cyclamasbiospider
Natrium cyclamicumbiospider
Natrium cyclohexylsulfamatbiospider
Natriumcyclohexylamidosulfatbiospider
Natriumzyklamatebiospider
Natriumzyklamate(german)biospider
Sodium cyclamate (inn)biospider
Sodium cyclamate [inn:ban]biospider
Sodium cyclamate, BANdb_source
Sodium cyclohexanesul famatebiospider
Sodium cyclohexanesulfamatebiospider
Sodium cyclohexanesulphamatebiospider
Sodium cyclohexyl amidosulfatebiospider
Sodium cyclohexyl amidosulphatebiospider
Sodium cyclohexyl sulfamatebiospider
Sodium cyclohexyl sulphamatebiospider
Sodium cyclohexylsulfamatebiospider
Sodium cyclohexylsulfamidatebiospider
Sodium cyclohexylsulphamidatebiospider
Sodium n-cyclohexylsulfamatebiospider
Sodium sucarylbiospider
Sucaryl sodiumdb_source
Sucrosadb_source
Sucrum 7biospider
sucrun 7biospider
Suessettebiospider
Suestaminbiospider
Sugarinbiospider
Sugaronbiospider
Sulfamic acid, cyclohexyl-, monosodium saltbiospider
Sulfamic acid, cylclohexyl-, monosodium saltbiospider
Sulfamic acid, N-cyclohexyl-, sodium salt (1:1)biospider
Predicted Properties
PropertyValueSource
logP0.61ChemAxon
pKa (Strongest Acidic)-0.83ChemAxon
pKa (Strongest Basic)-9.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.4 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity41.22 m³·mol⁻¹ChemAxon
Polarizability17.7 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC6H13NNaO3S
IUPAC namesodium N-cyclohexylsulfamic acid
InChI IdentifierInChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1
InChI KeyUDIPTWFVPPPURJ-UHFFFAOYSA-N
Isomeric SMILES[Na+].OS(=O)(=O)NC1CCCCC1
Average Molecular Weight202.227
Monoisotopic Molecular Weight202.051383652
Classification
Description belongs to the class of organic compounds known as cyclamates. Cyclamates are compounds containing a cyclohexylsulfamic acid moiety.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassSulfamic acid derivatives
Sub ClassCyclamates
Direct ParentCyclamates
Alternative Parents
Substituents
  • Cyclamic_acid_derivative
  • Sulfuric acid monoamide
  • Organic sulfuric acid or derivatives
  • Organic alkali metal salt
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organonitrogen compound
  • Organic cation
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point>300 oC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-05gi-3910000000-2baec1ce7f4037bdc2d2JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-053r-7900000000-a68e598ff2c2e592be2fJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a5c-9100000000-229bf9a6b50f81edea7eJSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID23665706
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDCXT50-E:DKG41-N
EAFUS ID3426
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDSodium_cyclamate
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
bitter
  1. Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference