1-(cyclopropanesulfonyl)-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 703788
• Molecular Formular: C14H23N3O2S
• Molecular Mass: 297.41632
• Monoisotopic Mass: 297.15109799
• SMILES: S(=O)(=O)(N1CC(c2n(ccn2)C(C)C)CCC1)C1CC1
• Canonical SMILES: CC(n1ccnc1C1CCCN(C1)S(=O)(=O)C1CC1)C
• InChI: InChI=1S/C14H23N3O2S/c1-11(2)17-9-7-15-14(17)12-4-3-8-16(10-12)20(18,19)13-5-6-13/h7,9,11-13H,3-6,8,10H2,1-2H3
• InChIKey: JYQYDYKPDFKQOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropanesulfonyl)-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-(cyclopropanesulfonyl)-3-(1-isopropylimidazol-2-yl)piperidine
• Synonyms: 1-(cyclopropylsulfonyl)-3-(1-isopropyl-1H-imidazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• Polarizability: 31.193981 Å^3
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4546023
• LogD (pH = 7.4): 1.0819416
• Log P: 1.109309
• Molar Refractivity: 78.4209 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0
• Log P: 1.26
• LOG S: -2.44