7-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-2,7-diazaspiro[4.5]decane

• ChemBase ID: 469398
• Molecular Formular: C14H24N4O2S
• Molecular Mass: 312.43096
• Monoisotopic Mass: 312.16199703
• SMILES: S(=O)(=O)(c1cn(nc1)CC)N1CC2(CN(CC2)C)CCC1
• Canonical SMILES: CCn1ncc(c1)S(=O)(=O)N1CCCC2(C1)CCN(C2)C
• InChI: InChI=1S/C14H24N4O2S/c1-3-17-10-13(9-15-17)21(19,20)18-7-4-5-14(12-18)6-8-16(2)11-14/h9-10H,3-8,11-12H2,1-2H3
• InChIKey: MABNZKSMUSLGMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(1-ethylpyrazol-4-ylsulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane
• Synonyms: 7-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.2956018
• LogD (pH = 7.4): -0.5215682
• Log P: 0.35907903
• Molar Refractivity: 94.4429 cm^3
• Polarizability: 32.69334 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.06
• LOG S: -1.38
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 2