4-[5-(1-methylpyrrolidin-2-yl)thiophene-2-carbonyl]morpholine

• ChemBase ID: 718585
• Molecular Formular: C14H20N2O2S
• Molecular Mass: 280.3858
• Monoisotopic Mass: 280.12454889
• SMILES: c1(sc(cc1)C1N(CCC1)C)C(=O)N1CCOCC1
• Canonical SMILES: CN1CCCC1c1ccc(s1)C(=O)N1CCOCC1
• InChI: InChI=1S/C14H20N2O2S/c1-15-6-2-3-11(15)12-4-5-13(19-12)14(17)16-7-9-18-10-8-16/h4-5,11H,2-3,6-10H2,1H3
• InChIKey: BXNBHHKLWIRUBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(1-methylpyrrolidin-2-yl)thiophene-2-carbonyl]morpholine
• IUPAC Traditional name: 4-[5-(1-methylpyrrolidin-2-yl)thiophene-2-carbonyl]morpholine
• Synonyms: 4-{[5-(1-methyl-2-pyrrolidinyl)-2-thienyl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0091516
• LogD (pH = 7.4): 0.75968766
• Log P: 1.5050199
• Molar Refractivity: 76.4322 cm^3
• Polarizability: 29.187254 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.79
• LOG S: -1.92
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 2