Molecule ID: 21801554

IUPAC Name: N-octylsulfamate

Description: The molecule is an organic sulfamate oxoanion that is the conjugate base of octylsulfamic 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 an octylsulfamic acid.

SMILES: CCCCCCCCNS(=O)(=O)[O-]

SELFIES: [C][C][C][C][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

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)/p-1

Molecular Properties:
- Polar Surface Area: 77.6 Ų
- LogP: 2.2