1-methanesulfonyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

• ChemBase ID: 833268
• Molecular Formular: C17H23N3O2S2
• Molecular Mass: 365.51342
• Monoisotopic Mass: 365.12316899
• SMILES: S(=O)(=O)(N1CCC(N(Cc2nc(sc2)c2ccccc2)C)CC1)C
• Canonical SMILES: CN(C1CCN(CC1)S(=O)(=O)C)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C17H23N3O2S2/c1-19(16-8-10-20(11-9-16)24(2,21)22)12-15-13-23-17(18-15)14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
• InChIKey: KERSTUAOKCTHTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-methanesulfonyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
• Synonyms: N-methyl-1-(methylsulfonyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.89387107
• LogD (pH = 7.4): 0.84694767
• Log P: 1.4284167
• Molar Refractivity: 107.7118 cm^3
• Polarizability: 39.217747 Å^3
• Polar Surface Area: 53.51 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: 3.1
• LOG S: -3.5
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4