6,8-disulfanyloctanamide

• ChemBase ID: 127034
• Molecular Formular: C8H17NOS2
• Molecular Mass: 207.35668
• Monoisotopic Mass: 207.07515617
• SMILES: O=C(N)CCCCC(S)CCS
• Canonical SMILES: SCCC(CCCCC(=O)N)S
• InChI: InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)
• InChIKey: VLYUGYAKYZETRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-disulfanyloctanamide
• IUPAC Traditional name: dihydrolipoamide
• Synonyms: Dihydrolipoamide

Database IDs

• CAS Number: 3884-47-7
• PubChem SID: 162221357
• PubChem CID: 663
• CHEBI ID: 17694
• Chemspider ID: 643
• KEGG ID: C00579
• MeSH Name: dihydrolipoamide
• Wikipedia Title: Dihydrolipoamide

CALCULATED PROPERTIES

• Acid pKa: 9.819255
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): 1.3958409
• LogD (pH = 7.4): 1.3943272
• Log P: 1.3958606
• Molar Refractivity: 57.7588 cm^3
• Polarizability: 22.785873 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true