3-(1,2-oxazinan-2-yl)-N-[1-(thiophen-2-yl)propan-2-yl]propanamide

• ChemBase ID: 862704
• Molecular Formular: C14H22N2O2S
• Molecular Mass: 282.40168
• Monoisotopic Mass: 282.14019895
• SMILES: N1(OCCCC1)CCC(=O)NC(Cc1sccc1)C
• Canonical SMILES: CC(Cc1cccs1)NC(=O)CCN1CCCCO1
• InChI: InChI=1S/C14H22N2O2S/c1-12(11-13-5-4-10-19-13)15-14(17)6-8-16-7-2-3-9-18-16/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,15,17)
• InChIKey: MTQIZOPZROGLIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2-oxazinan-2-yl)-N-[1-(thiophen-2-yl)propan-2-yl]propanamide
• IUPAC Traditional name: 3-(1,2-oxazinan-2-yl)-N-[1-(thiophen-2-yl)propan-2-yl]propanamide
• Synonyms: N-[1-methyl-2-(2-thienyl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.698666
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6827456
• LogD (pH = 7.4): 1.6833445
• Log P: 1.6833522
• Molar Refractivity: 76.7709 cm^3
• Polarizability: 30.10335 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.22
• LOG S: -3.16
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6