N-(3-Methyl-2,2-dioxo-1,2,3,4-tetrahydro-2λ⁶-benzo[d][1,2]thiazin-7-yl)-acetamide | 132038-38-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: N-(3-Methyl-2,2-dioxo-1,2,3,4-tetrahydro-2λ⁶-benzo[d][1,2]thiazin-7-yl)-acetamide
• 英文别名: 3-Methyl-7-acetylamino-3,4(1H)-dihydro-2,3-benzothiazine 2,2-dioxide；N-(3-methyl-2,2-dioxo-1,4-dihydro-2λ6,3-benzothiazin-7-yl)acetamide
• CAS: 132038-38-1
• 化学式: C₁₁H₁₄N₂O₃S
• 分子量: 254.31
• InChiKey: MWGBODHSGJMVKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  m-acetylamino-N-methylbenzylsulphonamide 生成 N-(3-Methyl-2,2-dioxo-1,2,3,4-tetrahydro-2λ⁶-benzo[d][1,2]thiazin-7-yl)-acetamide
  参考文献：
  名称：

  Mass spectra of heterocyclic compounds VI. 3,4-dihydro-1H-2,3-benzothiazine 2,2-dioxides

  摘要：

  AbstractThe mass fragmentation behaviour of 3,4‐dihydro‐1H‐2,3‐benzothiazine 2,2‐dioxides was studied. The rationalizations suggested are supported by accurate mass measurements, metastable evidence and deuterium labelling.

  DOI：

  10.1002/oms.1210251006

文献信息

• Mass spectra of heterocyclic compounds VI. 3,4-dihydro-1H-2,3-benzothiazine 2,2-dioxides
  作者：Juan Zinczuk、Rodolfo D. Bravo、Orfeo O. Orazi、Renée A. Corral

  DOI：10.1002/oms.1210251006

  日期：1990.10

  AbstractThe mass fragmentation behaviour of 3,4‐dihydro‐1H‐2,3‐benzothiazine 2,2‐dioxides was studied. The rationalizations suggested are supported by accurate mass measurements, metastable evidence and deuterium labelling.