dimethyl({2-[1-(pyridine-3-sulfonyl)piperidin-2-yl]ethyl})amine

• ChemBase ID: 692556
• Molecular Formular: C14H23N3O2S
• Molecular Mass: 297.41632
• Monoisotopic Mass: 297.15109799
• SMILES: S(=O)(=O)(N1C(CCN(C)C)CCCC1)c1cnccc1
• Canonical SMILES: CN(CCC1CCCCN1S(=O)(=O)c1cccnc1)C
• InChI: InChI=1S/C14H23N3O2S/c1-16(2)11-8-13-6-3-4-10-17(13)20(18,19)14-7-5-9-15-12-14/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3
• InChIKey: AFAUEHSCJMNFBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[1-(pyridine-3-sulfonyl)piperidin-2-yl]ethyl})amine
• IUPAC Traditional name: dimethyl({2-[1-(pyridine-3-sulfonyl)piperidin-2-yl]ethyl})amine
• Synonyms: N,N-dimethyl-2-[1-(3-pyridinylsulfonyl)-2-piperidinyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.5130997
• LogD (pH = 7.4): -1.058475
• Log P: 0.7976937
• Molar Refractivity: 80.5491 cm^3
• Polarizability: 32.080883 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: 1.44
• LOG S: -1.59
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4