Molecule ID: 18007039

IUPAC Name: 2-(dodecanoylamino)ethanesulfonate

Description: The molecule is a fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-dodecanoyltaurine; major species at pH 7.3. It is a conjugate base of a N-dodecanoyltaurine.

SMILES: CCCCCCCCCCCC([O-])=NCCS(=O)(=O)O

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

InChI: InChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19/h2-13H2,1H3,(H,15,16)(H,17,18,19)/p-1

Molecular Properties:
- Polar Surface Area: 94.7 Ų
- LogP: 3.5