N-[3-(3,6-dimethylpyrazin-2-yl)propyl]methanesulfonamide

• ChemBase ID: 442877
• Molecular Formular: C10H17N3O2S
• Molecular Mass: 243.32588
• Monoisotopic Mass: 243.1041478
• SMILES: S(=O)(=O)(NCCCc1nc(cnc1C)C)C
• Canonical SMILES: Cc1cnc(c(n1)CCCNS(=O)(=O)C)C
• InChI: InChI=1S/C10H17N3O2S/c1-8-7-11-9(2)10(13-8)5-4-6-12-16(3,14)15/h7,12H,4-6H2,1-3H3
• InChIKey: WCZLANQNEBVGRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,6-dimethylpyrazin-2-yl)propyl]methanesulfonamide
• IUPAC Traditional name: N-[3-(3,6-dimethylpyrazin-2-yl)propyl]methanesulfonamide
• Synonyms: N-[3-(3,6-dimethylpyrazin-2-yl)propyl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.992723
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1525851
• LogD (pH = 7.4): -1.1525692
• Log P: -1.152559
• Molar Refractivity: 61.3776 cm^3
• Polarizability: 24.779064 Å^3
• Polar Surface Area: 71.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.09
• LOG S: -2.36
• Polar Surface Area: 71.95 Å^2
• Rotatable Bonds: 4