Basic information
- Standard SMILES
CCCN(C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
AHJFWHAOOOUADD-UHFFFAOYSA-N- Molecular formula
- C24H36N4O8S
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.22538529
Names & identifiers
- IUPAC
- tert-butyl 3-(morpholine-4-carbonyl)-5-[(2-nitrophenyl)sulfonyl-propylamino]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 76731308
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 921
Related reactions
2 records
Compound notes
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