Molecule ID: 20521519

IUPAC Name: 2-acetamidoethanesulfonate

Description: The molecule is an organosulfonate oxoanion obtained by deprotonation of the sulfonic acid group of acetyltaurine. It has a role as a human blood serum metabolite and a human urinary metabolite. It is a conjugate base of an acetyltaurine.

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

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

InChI: InChI=1S/C4H9NO4S/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H,7,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 94.7 Ų
- LogP: -1.7