N-{3-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl}-N-methylmethanesulfonamide

• ChemBase ID: 624181
• Molecular Formular: C17H29N3O4S
• Molecular Mass: 371.49486
• Monoisotopic Mass: 371.18787742
• SMILES: S(=O)(=O)(N(CCC(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1)C)C
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)CCN(S(=O)(=O)C)C
• InChI: InChI=1S/C17H29N3O4S/c1-18(25(2,23)24)10-6-15(21)20-11-8-17(13-20)7-3-9-19(16(17)22)12-14-4-5-14/h14H,3-13H2,1-2H3
• InChIKey: BAFTXZMSTGDKOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl}-N-methylmethanesulfonamide
• IUPAC Traditional name: N-{3-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl}-N-methylmethanesulfonamide
• Synonyms: N-{3-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-3-oxopropyl}-N-methylmethanesulfonamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0000069
• LogD (pH = 7.4): -1.0000055
• Log P: -1.0000055
• Molar Refractivity: 94.8148 cm^3
• Polarizability: 37.664257 Å^3
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.61
• LOG S: -2.43
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 5