1-methanesulfonyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine

• ChemBase ID: 551332
• Molecular Formular: C17H26N2O3S
• Molecular Mass: 338.46494
• Monoisotopic Mass: 338.1664137
• SMILES: S(=O)(=O)(N1CCC(NC2Cc3c(CC2)ccc(c3)OC)CC1)C
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NC1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C17H26N2O3S/c1-22-17-6-4-13-3-5-16(11-14(13)12-17)18-15-7-9-19(10-8-15)23(2,20)21/h4,6,12,15-16,18H,3,5,7-11H2,1-2H3
• InChIKey: LWQPISQYLKPZIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-methanesulfonyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
• Synonyms: N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(methylsulfonyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2755976
• LogD (pH = 7.4): -1.8076137
• Log P: 0.9555481
• Molar Refractivity: 91.4283 cm^3
• Polarizability: 36.489914 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.2
• LOG S: -1.69
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3