Basic information
- CAS
178312-22-6- Standard SMILES
NS(=O)(=O)N1CCN(C2CNC2)CC1.O=C(O)C(F)(F)F- InChIKey
BAYIJFAGOMQPOH-UHFFFAOYSA-N- Molecular formula
- C9H17F3N4O4S
- Average molar mass
- 334.32 g/mol
- Monoisotopic mass
- 334.0922607
Names & identifiers
- Preferred name
- 4-(Azetidin-3-yl)piperazine-1-sulfonamide;2,2,2-trifluoroacetic acid
- IUPAC
- 4-(azetidin-3-yl)piperazine-1-sulfonamide;2,2,2-trifluoroacetic acid
Names & synonyms
SCHEMBL5901266BAYIJFAGOMQPOH-UHFFFAOYSA-N
Database identifiers
- CAS
178312-22-6- PubChem CID
- 22061371
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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