ChEBI
  Marvin  10070522312D          

 11 11  0  0  0  0            999 V2000
   -0.3248   -0.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3248    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0392   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    1.1250    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.3897   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0392   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022    0.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228    1.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
> <ID>
CHEBI:15964

> <NAME>
cyclohexylsulfamic acid

> <DEFINITION>
A member of the class of sulfamic acids that is sulfamic acid  carrying an N-cyclohexyl substituent.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4018; CHEBI:14055; CHEBI:23486

> <SYNONYM>
Cylamic acid; Cyclohexylsulfamic acid; cyclohexylsulfamic acid; Cyclohexylsulfamate; cyclohexylaminesulphonic acid; Cyclohexylamide sulfate

> <IUPAC_NAME>
cyclohexylsulfamic acid

> <FORMULA>
C6H13NO3S

> <MASS>
179.23836

> <MONOISOTOPIC_MASS>
179.06161

> <CHARGE>
0

> <SMILES>
OS(=O)(=O)NC1CCCCC1

> <INCHI>
InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)

> <INCHIKEY>
HCAJEUSONLESMK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
100-88-9

> <REAXYS_REGISTRY_NUMBER>
2208885

> <CHEMIDPLUS>
100-88-9

> <KEGG_COMPOUND_ACCESSION>
C02824

> <KEGG_DRUG_ACCESSION>
D02442

> <NIST_CHEMISTRY_WEBBOOK>
100-88-9

> <WIKIPEDIA_ACCESSION>
Cyclamic_acid

> <PUBMED_CITATION>
23559823; 4199201; 973466

$$$$