N-[2-(4-sulfamoylphenyl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 843959
• Molecular Formular: C17H26N4O3S
• Molecular Mass: 366.47834
• Monoisotopic Mass: 366.17256171
• SMILES: S(=O)(=O)(c1ccc(cc1)CCNC(=O)C1NCC2(C1)CCNCC2)N
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C17H26N4O3S/c18-25(23,24)14-3-1-13(2-4-14)5-8-20-16(22)15-11-17(12-21-15)6-9-19-10-7-17/h1-4,15,19,21H,5-12H2,(H,20,22)(H2,18,23,24)
• InChIKey: WIUCLBSNECMSSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-sulfamoylphenyl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[2-(4-sulfamoylphenyl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.145444
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -6.897832
• LogD (pH = 7.4): -5.5721583
• Log P: -1.156061
• Molar Refractivity: 96.4086 cm^3
• Polarizability: 38.678135 Å^3
• Polar Surface Area: 113.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 4
• Log P: -1.09
• LOG S: -2.25
• Polar Surface Area: 113.32 Å^2
• Rotatable Bonds: 5