2-[(1,1-dioxo-1λ6-thiolan-3-yl)(methyl)amino]-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide

• ChemBase ID: 779228
• Molecular Formular: C13H24N2O3S
• Molecular Mass: 288.40626
• Monoisotopic Mass: 288.15076364
• SMILES: S1(=O)(=O)CC(N(CC(=O)N(CC(=C)C)CC)C)CC1
• Canonical SMILES: CCN(C(=O)CN(C1CCS(=O)(=O)C1)C)CC(=C)C
• InChI: InChI=1S/C13H24N2O3S/c1-5-15(8-11(2)3)13(16)9-14(4)12-6-7-19(17,18)10-12/h12H,2,5-10H2,1,3-4H3
• InChIKey: USZAWLBEEYVTQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1,1-dioxo-1λ^6-thiolan-3-yl)(methyl)amino]-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-[(1,1-dioxo-1λ^6-thiolan-3-yl)(methyl)amino]-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
• Synonyms: 2-[(1,1-dioxidotetrahydro-3-thienyl)(methyl)amino]-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8635756
• LogD (pH = 7.4): -0.58494574
• Log P: -0.5799351
• Molar Refractivity: 76.4326 cm^3
• Polarizability: 30.630795 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.43
• LOG S: -1.67
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 6