BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

N-cyclohexylsulfamic acid

Graphical representations:

N-cyclohexylsulfamic acid image

Molecular Formula: C6 H13 N O3 S

Natural Isotopic Abundance Mass: 179.23732

Mono-Isotopic Molecular Masses:

  • C12N14: 179.0616139788
  • C13N14: 185.0817430056
  • C12N15: 180.058648872
  • C13N15: 186.0787778988

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

canonical and isomeric SMILES: C1CCC(CC1)NS(=O)(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
cyclohexylsulfamic acid

PubChem Substance (SID):   111677795   53837755   8145062
PubChem Compound (CID):   7533
KEGG: Compound ID   D02442
CAS Registry IDs:   139-05-9   100-88-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 29550_FLUKA   ChEBI CHEBI:15964   ChemSpider 15484224   ZINC ZINC01529532   Comparative Toxicogenomics Database D003494   NIST 3527954456   MMCD cq_01717   MDL MFCD00065234

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.