Molecule ID: 3810822

IUPAC Name: 2-(tetradecanoylamino)ethanesulfonate

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

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

SELFIES: [C][C][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/C16H33NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15-22(19,20)21/h2-15H2,1H3,(H,17,18)(H,19,20,21)/p-1

Molecular Properties:
- Polar Surface Area: 94.7 Ų
- LogP: 4.6