N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methylsulfanylpyrrole-1-carboxamide
Basic information
- CAS
655788-08-2- Standard SMILES
CSc1ccn(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)c1- InChIKey
ZWIDPXWIUFUIEA-DVVUODLYSA-N- Molecular formula
- C12H17N3OS
- Average molar mass
- 251.35 g/mol
Names & identifiers
- Preferred name
- N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methylsulfanylpyrrole-1-carboxamide
- IUPAC
- N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methylsulfanylpyrrole-1-carboxamide
- English name
- 1H-Pyrrole-1-carboxamide,N-(1S,2R,4R)-7-azabicyclo[2.2.1]hept-2-yl-3-
- Molecular formula
- C12H17N3OS
- Molecular weight
- 251.35
Names & synonyms
1H-Pyrrole-1-carboxamide,N-(1S,2R,4R)-7-azabicyclo[2.2.1]hept-2-yl-3-1H-Pyrrole-1-carboxamide, N-(1S,2R,4R)-7-azabicyclo[2.2.1]hept-2-yl-3-(methylthio)-N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-3-methylsulfanylpyrrole-1-carboxamide
Database identifiers
- CAS
655788-08-2
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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