4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)piperazine-1-sulfonamide

• ChemBase ID: 659657
• Molecular Formular: C19H32N4O2S
• Molecular Mass: 380.54798
• Monoisotopic Mass: 380.22459728
• SMILES: S(=O)(=O)(N1CCN(CC1)C)N(CCc1ccccc1)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)N(S(=O)(=O)N1CCN(CC1)C)CCc1ccccc1
• InChI: InChI=1S/C19H32N4O2S/c1-20-11-9-19(10-12-20)23(13-8-18-6-4-3-5-7-18)26(24,25)22-16-14-21(2)15-17-22/h3-7,19H,8-17H2,1-2H3
• InChIKey: LZBQVZOZVXFXMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)piperazine-1-sulfonamide
• IUPAC Traditional name: 4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)piperazine-1-sulfonamide
• Synonyms: 4-methyl-N-(1-methyl-4-piperidinyl)-N-(2-phenylethyl)-1-piperazinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.260759
• LogD (pH = 7.4): 0.19402653
• Log P: 0.79046035
• Molar Refractivity: 107.2972 cm^3
• Polarizability: 42.622314 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.24
• LOG S: -2.02
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4