2-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}sulfonyl)-2,8-diazaspiro[4.5]decane

• ChemBase ID: 682737
• Molecular Formular: C13H17ClN4O2S2
• Molecular Mass: 360.88268
• Monoisotopic Mass: 360.04814548
• SMILES: c1(S(=O)(=O)N2CC3(CC2)CCNCC3)n2c(nc1Cl)scc2
• Canonical SMILES: Clc1nc2n(c1S(=O)(=O)N1CCC3(C1)CCNCC3)ccs2
• InChI: InChI=1S/C13H17ClN4O2S2/c14-10-11(18-7-8-21-12(18)16-10)22(19,20)17-6-3-13(9-17)1-4-15-5-2-13/h7-8,15H,1-6,9H2
• InChIKey: AYMGIYJVSZKWTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}sulfonyl)-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-{6-chloroimidazo[2,1-b][1,3]thiazol-5-ylsulfonyl}-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4510252
• LogD (pH = 7.4): -1.7635828
• Log P: 0.7689734
• Molar Refractivity: 98.224 cm^3
• Polarizability: 34.179356 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.69
• LOG S: -3.12
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 1