Basic information
- Standard SMILES
NCC1CCN(CCNS(=O)(=O)C(F)(F)F)CC1- InChIKey
KPEBZQYJCQHOQQ-UHFFFAOYSA-N- Molecular formula
- C9H18F3N3O2S
- Average molar mass
- 289.32 g/mol
Names & identifiers
- Preferred name
- N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
- IUPAC
- N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
Names & synonyms
SCHEMBL1432068KPEBZQYJCQHOQQ-UHFFFAOYSA-NN-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
Database identifiers
- PubChem CID
- 57993191
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Related reactions
1 records
Compound notes
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