tert-Butyl (3S)-3-[((3S)-1-[(3-chloro-2-methylphenyl)sulfonyl]piperidin-3-ylamino)-carbonyl]piperidine-1-carboxylate
Basic information
- Standard SMILES
Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1- InChIKey
HDBAEDJNZCYUHB-ROUUACIJSA-N- Molecular formula
- C23H34ClN3O5S
- Average molar mass
- 500.1 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (3S)-3-[((3S)-1-[(3-chloro-2-methylphenyl)sulfonyl]piperidin-3-ylamino)-carbonyl]piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S)-3-[[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL612133HDBAEDJNZCYUHB-ROUUACIJSA-Ntert-Butyl (3S)-3-[((3S)-1-[(3-chloro-2-methylphenyl)sulfonyl]piperidin-3-ylamino)-carbonyl]-piperidine-1-carboxylatetert-Butyl (3S)-3-[((3S)-1-[(3-chloro-2-methylphenyl)sulfonyl]piperidin-3-ylamino)-carbonyl]piperidine-1-carboxylatetert-butyl (3S)-3-[({(3S)-1-[(3-chloro-2-methylphenyl)sulfonyl]piperidin-3-yl}amino) carbonyl]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58656262
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 810
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Related reactions
4 records
Compound notes
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