Molecule ID: 4985784

IUPAC Name: 3-[2-hydroxyethyl(dimethyl)azaniumyl]propane-1-sulfonate

Description: The molecule is an ammonium betaine derivative of propanesulfonic acid. One of a group of non-detergent sulfobetaines having a sulfobetaine hydrophilic group and a short hydrophobic group that cannot aggregate to form micelles.

SMILES: C[N+](C)(CCO)CCCS(=O)(=O)[O-]

SELFIES: [C][N+1][Branch1][C][C][Branch1][Ring2][C][C][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 85.8 Ų
- LogP: -1.2