Molecule ID: 24796789

IUPAC Name: 7-methyloctylsulfamic 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The molecule is a member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (7-methyloctyl) group. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate acid of a (7-methyloctyl)sulfamate.

SMILES: CC(C)CCCCCCNS(=O)(=O)O

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

InChI: InChI=1S/C9H21NO3S/c1-9(2)7-5-3-4-6-8-10-14(11,12)13/h9-10H,3-8H2,1-2H3,(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 2.5