8-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 489337
• Molecular Formular: C16H20N2O3S2
• Molecular Mass: 352.4716
• Monoisotopic Mass: 352.09153451
• SMILES: S(=O)(=O)(N1CCC2(OCCC2)CC1)c1cc2sc(nc2cc1)C
• Canonical SMILES: Cc1nc2c(s1)cc(cc2)S(=O)(=O)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C16H20N2O3S2/c1-12-17-14-4-3-13(11-15(14)22-12)23(19,20)18-8-6-16(7-9-18)5-2-10-21-16/h3-4,11H,2,5-10H2,1H3
• InChIKey: AIJQKCSNIBZJKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-(2-methyl-1,3-benzothiazol-6-ylsulfonyl)-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 8-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.580361
• LogD (pH = 7.4): 1.5806677
• Log P: 1.5806717
• Molar Refractivity: 89.4268 cm^3
• Polarizability: 36.64774 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.32
• LOG S: -3.75
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 1