Molecule ID: 159864

IUPAC Name: 2-acetamidoethanesulfonic acid

Description: The molecule is an amino sulfonic acid that is taurine substituted by an acetyl group at the N atom. It has a role as a human urinary metabolite and a human blood serum metabolite. It is a member of acetamides and an organosulfonic acid. It derives from a taurine. It is a conjugate acid of an acetyltaurine(1-).

SMILES: CC(O)=NCCS(=O)(=O)O

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

Molecular Properties:
- Polar Surface Area: 91.8 Ų
- LogP: -1.6