Molecule ID: 10130697

IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)propane-1-sulfonate

Description: The molecule is an ammonium betaine derivative of 3-(piperidin-1-yl)propane-1-sulfonic 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+]1(CCCS(=O)(=O)[O-])CCCCC1

SELFIES: [C][N+1][Branch1][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][C][C][C][Ring1][=N]

InChI: InChI=1S/C9H19NO3S/c1-10(6-3-2-4-7-10)8-5-9-14(11,12)13/h2-9H2,1H3

Molecular Properties:
- Polar Surface Area: 65.6 Ų
- LogP: 0.3