1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 511938
• Molecular Formular: C16H25N5O3S
• Molecular Mass: 367.4664
• Monoisotopic Mass: 367.16781069
• SMILES: S(=O)(=O)(c1c(n(nc1)C)C)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)S(=O)(=O)c1cnn(c1C)C
• InChI: InChI=1S/C16H25N5O3S/c1-13-15(11-18-19(13)2)25(22,23)21-7-4-5-14(12-21)16-17-6-8-20(16)9-10-24-3/h6,8,11,14H,4-5,7,9-10,12H2,1-3H3
• InChIKey: KANKQZACVCLWQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-(1,5-dimethylpyrazol-4-ylsulfonyl)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
• Synonyms: 1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.39728376
• LogD (pH = 7.4): 0.23317805
• Log P: 0.260955
• Molar Refractivity: 107.0403 cm^3
• Polarizability: 37.041958 Å^3
• Polar Surface Area: 82.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.54
• LOG S: -2.34
• Polar Surface Area: 82.25 Å^2
• Rotatable Bonds: 5