N-(1,1-dioxo-1λ6-thian-4-yl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide

• ChemBase ID: 755852
• Molecular Formular: C15H21NO4S2
• Molecular Mass: 343.46154
• Monoisotopic Mass: 343.09120016
• SMILES: S1(=O)(=O)CCC(N(C(=O)c2sc(cc2)C2OCCC2)C)CC1
• Canonical SMILES: CN(C(=O)c1ccc(s1)C1CCCO1)C1CCS(=O)(=O)CC1
• InChI: InChI=1S/C15H21NO4S2/c1-16(11-6-9-22(18,19)10-7-11)15(17)14-5-4-13(21-14)12-3-2-8-20-12/h4-5,11-12H,2-3,6-10H2,1H3
• InChIKey: MJVVPMHSFJMMFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-1λ^6-thian-4-yl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-(1,1-dioxo-1λ^6-thian-4-yl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
• Synonyms: N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-N-methyl-5-(tetrahydro-2-furanyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.49794364
• LogD (pH = 7.4): 0.49794367
• Log P: 0.49794367
• Molar Refractivity: 86.2121 cm^3
• Polarizability: 33.752296 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.06
• LOG S: -1.65
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 3