Molecule ID: 863

IUPAC Name: 5-(dithiolan-3-yl)pentanamide

Description: The molecule is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of lipoic acid with ammonia. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of dithiolanes and a monocarboxylic acid amide. It derives from a lipoic acid.

SMILES: N=C(O)CCCCC1CCSS1

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

InChI: InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)

Molecular Properties:
- Polar Surface Area: 93.7 Ų
- LogP: 1.0