N-(pentan-3-yl)-1-(thiophene-2-carbonyl)piperidin-3-amine

• ChemBase ID: 327496
• Molecular Formular: C15H24N2OS
• Molecular Mass: 280.42886
• Monoisotopic Mass: 280.1609344
• SMILES: N1(C(=O)c2sccc2)CC(NC(CC)CC)CCC1
• Canonical SMILES: CCC(NC1CCCN(C1)C(=O)c1cccs1)CC
• InChI: InChI=1S/C15H24N2OS/c1-3-12(4-2)16-13-7-5-9-17(11-13)15(18)14-8-6-10-19-14/h6,8,10,12-13,16H,3-5,7,9,11H2,1-2H3
• InChIKey: JLNKKRUFPWXZNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pentan-3-yl)-1-(thiophene-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(pentan-3-yl)-1-(thiophene-2-carbonyl)piperidin-3-amine
• Synonyms: N-(1-ethylpropyl)-1-(2-thienylcarbonyl)piperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.12359976
• LogD (pH = 7.4): 0.43373746
• Log P: 3.1037085
• Molar Refractivity: 79.9707 cm^3
• Polarizability: 31.039953 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.77
• LOG S: -3.62
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5