1-methanesulfonyl-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}piperidin-4-amine

• ChemBase ID: 646653
• Molecular Formular: C17H33N3O3S
• Molecular Mass: 359.52722
• Monoisotopic Mass: 359.22426293
• SMILES: S(=O)(=O)(N1CCC(NCC2(N3CCOCC3)CCCCC2)CC1)C
• Canonical SMILES: CS(=O)(=O)N1CCC(CC1)NCC1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C17H33N3O3S/c1-24(21,22)20-9-5-16(6-10-20)18-15-17(7-3-2-4-8-17)19-11-13-23-14-12-19/h16,18H,2-15H2,1H3
• InChIKey: BGVFXSXZDRHMKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonyl-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}piperidin-4-amine
• IUPAC Traditional name: 1-methanesulfonyl-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}piperidin-4-amine
• Synonyms: 1-(methylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.5603313
• LogD (pH = 7.4): -2.7532883
• Log P: 0.07904412
• Molar Refractivity: 96.0141 cm^3
• Polarizability: 38.92334 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.14
• LOG S: -1.79
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4