Molecule ID: 71158

IUPAC Name: 3-acetamidopropane-1-sulfonic acid

Description: The molecule is an organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3. It has a role as a neurotransmitter agent, an environmental contaminant and a xenobiotic. It is an organosulfonic acid and a member of acetamides.

SMILES: CC(O)=NCCCS(=O)(=O)O

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

InChI: InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 91.8 Ų
- LogP: -1.2