1-{1-[2-(thiophen-2-yl)azetidine-1-carbonyl]cyclopentyl}pyrrolidine

• ChemBase ID: 725116
• Molecular Formular: C17H24N2OS
• Molecular Mass: 304.45026
• Monoisotopic Mass: 304.1609344
• SMILES: N1(C(=O)C2(N3CCCC3)CCCC2)C(c2sccc2)CC1
• Canonical SMILES: O=C(C1(CCCC1)N1CCCC1)N1CCC1c1cccs1
• InChI: InChI=1S/C17H24N2OS/c20-16(19-12-7-14(19)15-6-5-13-21-15)17(8-1-2-9-17)18-10-3-4-11-18/h5-6,13-14H,1-4,7-12H2
• InChIKey: XMKHSBLKKVAZTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[2-(thiophen-2-yl)azetidine-1-carbonyl]cyclopentyl}pyrrolidine
• IUPAC Traditional name: 1-{1-[2-(thiophen-2-yl)azetidine-1-carbonyl]cyclopentyl}pyrrolidine
• Synonyms: 1-(1-{[2-(2-thienyl)azetidin-1-yl]carbonyl}cyclopentyl)pyrrolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.07112861
• LogD (pH = 7.4): 1.6600659
• Log P: 2.882765
• Molar Refractivity: 85.7514 cm^3
• Polarizability: 33.465626 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.8
• LOG S: -3.81
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3