N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide

• ChemBase ID: 482069
• Molecular Formular: C17H28N2O3S
• Molecular Mass: 340.48082
• Monoisotopic Mass: 340.18206377
• SMILES: S(=O)(=O)(N(CC1CCN(CC1)C)CCc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)CCN(S(=O)(=O)C)CC1CCN(CC1)C
• InChI: InChI=1S/C17H28N2O3S/c1-18-11-8-16(9-12-18)14-19(23(3,20)21)13-10-15-4-6-17(22-2)7-5-15/h4-7,16H,8-14H2,1-3H3
• InChIKey: DCDWVFZJQFQIQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Log P: 1.2549726
• Molar Refractivity: 93.9602 cm^3
• Polarizability: 37.368103 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4422368
• LogD (pH = 7.4): 0.33059654

供应商提供(Chembridge)

• Log P: 2.8
• LOG S: -3.07
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0