1-cyclopentyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one

• ChemBase ID: 520163
• Molecular Formular: C15H24N2O2S
• Molecular Mass: 296.42826
• Monoisotopic Mass: 296.15584902
• SMILES: N1(CC(C(=O)N2CCSCC2)CCC1=O)C1CCCC1
• Canonical SMILES: O=C1CCC(CN1C1CCCC1)C(=O)N1CCSCC1
• InChI: InChI=1S/C15H24N2O2S/c18-14-6-5-12(11-17(14)13-3-1-2-4-13)15(19)16-7-9-20-10-8-16/h12-13H,1-11H2
• InChIKey: VIDPEZWOOMRRQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
• IUPAC Traditional name: 1-cyclopentyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
• Synonyms: 1-cyclopentyl-5-(4-thiomorpholinylcarbonyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.823557
• LogD (pH = 7.4): 0.82355756
• Log P: 0.82355756
• Molar Refractivity: 81.2304 cm^3
• Polarizability: 31.663668 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.63
• LOG S: -1.99
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2