2-[1-(thiophen-3-yl)propan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 603694
• Molecular Formular: C16H24N2OS
• Molecular Mass: 292.43956
• Monoisotopic Mass: 292.1609344
• SMILES: N1(C(=O)CCC2(C1)CCNCC2)C(Cc1cscc1)C
• Canonical SMILES: CC(N1CC2(CCNCC2)CCC1=O)Cc1cscc1
• InChI: InChI=1S/C16H24N2OS/c1-13(10-14-3-9-20-11-14)18-12-16(4-2-15(18)19)5-7-17-8-6-16/h3,9,11,13,17H,2,4-8,10,12H2,1H3
• InChIKey: KNDAEMMYGXZKJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(thiophen-3-yl)propan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-[1-(thiophen-3-yl)propan-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-[1-methyl-2-(3-thienyl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3181871
• LogD (pH = 7.4): -0.6308162
• Log P: 1.9018161
• Molar Refractivity: 82.7477 cm^3
• Polarizability: 32.35086 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.35
• LOG S: -3.34
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3