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Basic information
- Standard SMILES
CN1CCN(C(=O)[C@@H]2C[C@H](S)CN2C)CC1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F- InChIKey
AWMAPENHEPVKGX-BZDVOYDHSA-N- Molecular formula
- C13H23F6N3O7S3
- Average molar mass
- 543.5 g/mol
- Monoisotopic mass
- 543.06023257
Names & identifiers
- Preferred name
- (2S,4S)-4-Mercapto-2-(4-methyl-1-piperazinylcarbonyl)-1-methylpyrrolidine bis(trifluoromethanesulfonate)
- IUPAC
- (4-methylpiperazin-1-yl)-[(2S,4S)-1-methyl-4-sulfanylpyrrolidin-2-yl]methanone;bis(trifluoromethanesulfonic acid)
Names & synonyms
(2S,4S)-4-Mercapto-2-(4-methyl-1-piperazinylcarbonyl)-1-methylpyrrolidine bis(trifluoromethanesulfonate)SCHEMBL8435769(2S,4S)-4-Mercapto-2-(4-methyl-1-piperazinylcarbonyl) -1-methylpyrrolidine bis(trifluoromethane-sulfonate)
Database identifiers
- PubChem CID
- 86752002
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 424
Related reactions
4 records
Compound notes
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