N-methyl-4-{2-oxa-7-azaspiro[4.5]decane-7-sulfonyl}thiophene-2-carboxamide

• ChemBase ID: 633923
• Molecular Formular: C14H20N2O4S2
• Molecular Mass: 344.4496
• Monoisotopic Mass: 344.08644913
• SMILES: S(=O)(=O)(c1cc(sc1)C(=O)NC)N1CC2(COCC2)CCC1
• Canonical SMILES: CNC(=O)c1scc(c1)S(=O)(=O)N1CCCC2(C1)COCC2
• InChI: InChI=1S/C14H20N2O4S2/c1-15-13(17)12-7-11(8-21-12)22(18,19)16-5-2-3-14(9-16)4-6-20-10-14/h7-8H,2-6,9-10H2,1H3,(H,15,17)
• InChIKey: BONHWWYQNMEWPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-{2-oxa-7-azaspiro[4.5]decane-7-sulfonyl}thiophene-2-carboxamide
• IUPAC Traditional name: N-methyl-4-{2-oxa-7-azaspiro[4.5]decane-7-sulfonyl}thiophene-2-carboxamide
• Synonyms: N-methyl-4-(2-oxa-7-azaspiro[4.5]dec-7-ylsulfonyl)thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.719456
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4959887
• LogD (pH = 7.4): 0.49598688
• Log P: 0.49598873
• Molar Refractivity: 84.6803 cm^3
• Polarizability: 33.07462 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.85
• LOG S: -2.94
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2