HRID116807
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CC1(c2cccc(NS(C)(=O)=O)c2)C2CNCC21
- InChIKey
- HXNFBHSHHRXNAR-UHFFFAOYSA-N
- 分子式
- C13H18N2O2S
- 平均分子量
- 266.36 g/mol
- 单同位素质量
- 266.10889899
COMPUTED
结构计算性质
- XLogP
- 1.1
- 极性表面积
- 66.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 419
ALIASES
名称与别名
N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamideN-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl]methanesulfonamideSCHEMBL5753674HXNFBHSHHRXNAR-UHFFFAOYSA-NN-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6--yl)phenyl]methanesulfonamide
REACTIONS
参与反应
HRID125049
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID190552
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID198689
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID428867
uspto-grants-2001_11
作为反应物
uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313312B1
查看条件与参与物HRID428868
uspto-grants-2001_11
作为反应物
uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313312B1
查看条件与参与物HRID428869
uspto-grants-2001_11
作为反应物
uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313312B1
查看条件与参与物HRID428870
uspto-grants-2001_11
作为反应物
uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313312B1
查看条件与参与物