Molecule ID: 24796788

IUPAC Name: N-(7-methyloctyl)sulfamate

Description: The molecule is an organic sulfamate oxoanion that is the conjugate base of (7-methyloctyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate base of a (7-methyloctyl)sulfamic acid.

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-1]

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)/p-1

Molecular Properties:
- Polar Surface Area: 77.6 Ų
- LogP: 2.4