Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cc2ccccc2s1- InChIKey
GNYINPLQSQBMIC-HNNXBMFYSA-N- Molecular formula
- C19H26N2O2S
- Average molar mass
- 346.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-{[(Benzo[b]thiophen-2-ylmethyl)-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2S)-2-[(1-benzothiophen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL5093720GNYINPLQSQBMIC-HNNXBMFYSA-N(S)-2-{[(Benzo[b]thiophen-2-ylmethyl)-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58622178
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
2 records
Compound notes
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