1-(methoxymethyl)-N-[2-(pyrrolidine-1-sulfonyl)ethyl]cyclobutane-1-carboxamide

• ChemBase ID: 698734
• Molecular Formular: C13H24N2O4S
• Molecular Mass: 304.40566
• Monoisotopic Mass: 304.14567826
• SMILES: S(=O)(=O)(N1CCCC1)CCNC(=O)C1(COC)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)NCCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C13H24N2O4S/c1-19-11-13(5-4-6-13)12(16)14-7-10-20(17,18)15-8-2-3-9-15/h2-11H2,1H3,(H,14,16)
• InChIKey: MPUJVJCHSRYUHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-[2-(pyrrolidine-1-sulfonyl)ethyl]cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-[2-(pyrrolidine-1-sulfonyl)ethyl]cyclobutane-1-carboxamide
• Synonyms: 1-(methoxymethyl)-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.283332
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.36531347
• LogD (pH = 7.4): -0.36531338
• Log P: -0.36531338
• Molar Refractivity: 75.9458 cm^3
• Polarizability: 30.513096 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.93
• LOG S: -2.22
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 6