Molecule ID: 15894852

IUPAC Name: octylsulfamic acid

Description: The molecule is a member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by an octyl group. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate acid of an octylsulfamate.

SMILES: CCCCCCCCNS(=O)(=O)O

SELFIES: [C][C][C][C][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-9-13(10,11)12/h9H,2-8H2,1H3,(H,10,11,12)

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 2.3