N-ethyl-2-methanesulfonyl-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 541948
• Molecular Formular: C10H19NO4S
• Molecular Mass: 249.32716
• Monoisotopic Mass: 249.10347909
• SMILES: S(=O)(=O)(CC(=O)N(CC1OCCC1)CC)C
• Canonical SMILES: CCN(C(=O)CS(=O)(=O)C)CC1CCCO1
• InChI: InChI=1S/C10H19NO4S/c1-3-11(7-9-5-4-6-15-9)10(12)8-16(2,13)14/h9H,3-8H2,1-2H3
• InChIKey: NCDLGUXJZIKIHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methanesulfonyl-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-ethyl-2-methanesulfonyl-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: N-ethyl-2-(methylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.543856
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9510062
• LogD (pH = 7.4): -0.9806868
• Log P: -0.9506143
• Molar Refractivity: 60.9875 cm^3
• Polarizability: 24.584335 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.15
• LOG S: -1.09
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 5