N-methyl-N-{[5-({3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl}methyl)furan-2-yl]methyl}methanesulfonamide

• ChemBase编号: 825837
• 分子式: C15H23N3O5S
• 平均质量: 357.42522
• 单一同位素质量: 357.13584185
• SMILES: S(=O)(=O)(N(Cc1oc(cc1)CN1CC2(OC(=O)N(C2)C)CC1)C)C
• Canonical SMILES: O=C1OC2(CN1C)CCN(C2)Cc1ccc(o1)CN(S(=O)(=O)C)C
• InChI: InChI=1S/C15H23N3O5S/c1-16-10-15(23-14(16)19)6-7-18(11-15)9-13-5-4-12(22-13)8-17(2)24(3,20)21/h4-5H,6-11H2,1-3H3
• InChIKey: YXOOFTOLLNLDRJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-{[5-({3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl}methyl)furan-2-yl]methyl}methanesulfonamide
• IUPAC传统名: N-methyl-N-{[5-({3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl}methyl)furan-2-yl]methyl}methanesulfonamide
• 别名: N-methyl-N-({5-[(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]non-7-yl)methyl]-2-furyl}methyl)methanesulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -3.234838
• LogD (pH = 7.4): -1.4869672
• Log P: -0.8765041
• 摩尔折射率: 87.6851 cm^3
• 极化性: 34.852005 Å^3
• 极化表面积: 83.3 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 0.04
• LOG S: -2.14
• 极化表面积: 83.3 Å^2
• 可自由旋转的化学键: 4