N-cyclopentyl-4-(4-methanesulfonamidopiperidin-1-yl)-4-oxobutanamide

• ChemBase ID: 436433
• Molecular Formular: C15H27N3O4S
• Molecular Mass: 345.45758
• Monoisotopic Mass: 345.17222736
• SMILES: S(=O)(=O)(NC1CCN(C(=O)CCC(=O)NC2CCCC2)CC1)C
• Canonical SMILES: O=C(N1CCC(CC1)NS(=O)(=O)C)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C15H27N3O4S/c1-23(21,22)17-13-8-10-18(11-9-13)15(20)7-6-14(19)16-12-4-2-3-5-12/h12-13,17H,2-11H2,1H3,(H,16,19)
• InChIKey: WJSGUCMMTOPZDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-(4-methanesulfonamidopiperidin-1-yl)-4-oxobutanamide
• IUPAC Traditional name: N-cyclopentyl-4-(4-methanesulfonamidopiperidin-1-yl)-4-oxobutanamide
• Synonyms: N-cyclopentyl-4-{4-[(methylsulfonyl)amino]piperidin-1-yl}-4-oxobutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.524247
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4615754
• LogD (pH = 7.4): -1.4616039
• Log P: -1.4615749
• Molar Refractivity: 86.7113 cm^3
• Polarizability: 34.718975 Å^3
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.87
• LOG S: -2.29
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 5