Molecule ID: 3016215

IUPAC Name: 2-(dodecanoylamino)ethanesulfonic acid

Description: The molecule is a fatty acid-taurine conjugate derived from dodecanoic acid. It has a role as a mouse metabolite. It derives from a dodecanoic acid. It is a conjugate acid of a N-dodecanoyltaurine(1-).

SMILES: CCCCCCCCCCCC(O)=NCCS(=O)(=O)O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][=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)

Molecular Properties:
- Polar Surface Area: 91.8 Ų
- LogP: 3.6