2-(4-methylpentyl)-4-(piperidine-1-sulfonyl)morpholine

• ChemBase ID: 521442
• Molecular Formular: C15H30N2O3S
• Molecular Mass: 318.4753
• Monoisotopic Mass: 318.19771383
• SMILES: S(=O)(=O)(N1CC(OCC1)CCCC(C)C)N1CCCCC1
• Canonical SMILES: CC(CCCC1OCCN(C1)S(=O)(=O)N1CCCCC1)C
• InChI: InChI=1S/C15H30N2O3S/c1-14(2)7-6-8-15-13-17(11-12-20-15)21(18,19)16-9-4-3-5-10-16/h14-15H,3-13H2,1-2H3
• InChIKey: OECDPJLAAAPYMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpentyl)-4-(piperidine-1-sulfonyl)morpholine
• IUPAC Traditional name: 2-(4-methylpentyl)-4-(piperidine-1-sulfonyl)morpholine
• Synonyms: 2-(4-methylpentyl)-4-(1-piperidinylsulfonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0950878
• LogD (pH = 7.4): 2.0950885
• Log P: 2.0950885
• Molar Refractivity: 84.9393 cm^3
• Polarizability: 34.442112 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.73
• LOG S: -4.51
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3