Molecule ID: 78165

IUPAC Name: 2-morpholin-4-ylethanesulfonic acid

Description: The molecule is a Good's buffer substance, pKa = 6.15 at 20 鈩? It is an organosulfonic acid and a MES. It is a conjugate acid of a 2-(N-morpholino)ethanesulfonate. It is a tautomer of a 2-(N-morpholiniumyl)ethanesulfonate.

SMILES: O=S(=O)(O)CCN1CCOCC1

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][C][C][N][C][C][O][C][C][Ring1][=Branch1]

InChI: InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 75.2 Ų
- LogP: -3.5