Molecule ID: 79723

IUPAC Name: 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonic acid

Description: The molecule is a Good's buffer substance, pKa = 6.8 at 20 鈩? It is a conjugate acid of a 2,2'-piperazine-1,4-diylbisethanesulfonate.

SMILES: O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1

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

InChI: InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -6.7