N-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-2-carboxamide

• ChemBase ID: 447087
• Molecular Formular: C14H20N2O2S
• Molecular Mass: 280.3858
• Monoisotopic Mass: 280.12454889
• SMILES: N(C(=O)C1OCCNC1)(Cc1c(ccs1)C)C1CC1
• Canonical SMILES: O=C(N(C1CC1)Cc1sccc1C)C1CNCCO1
• InChI: InChI=1S/C14H20N2O2S/c1-10-4-7-19-13(10)9-16(11-2-3-11)14(17)12-8-15-5-6-18-12/h4,7,11-12,15H,2-3,5-6,8-9H2,1H3
• InChIKey: JGZFNZKGBOYLFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-2-carboxamide
• Synonyms: N-cyclopropyl-N-[(3-methyl-2-thienyl)methyl]morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.916067
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6580078
• LogD (pH = 7.4): 1.0383812
• Log P: 1.5353106
• Molar Refractivity: 74.9683 cm^3
• Polarizability: 29.300356 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.5
• LOG S: -1.67
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4