Basic information
- CAS
887591-35-7- Standard SMILES
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2cccc(C(N)=O)c2)CC1- InChIKey
BWSUUAQOIIUVJC-UHFFFAOYSA-N- Molecular formula
- C17H24N2O5S
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.14059304
Names & identifiers
- Preferred name
- 4-(3-Carbamoylphenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(3-carbamoylphenyl)sulfonylpiperidine-1-carboxylate
- English name
- 4-(3-Carbamoyl-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C17H24N2O5S
- Molecular weight
- 368.45
Names & synonyms
887591-35-7DTXSID606953304-(3-carbamoylphenylsulfonyl)piperidine-1-carboxylic acid tert-butyl estertert-Butyl 4-((3-carbamoylphenyl)sulfonyl)piperidine-1-carboxylatetert-Butyl 4-(3-carbamoylbenzene-1-sulfonyl)piperidine-1-carboxylate4-(3-Carbamoyl-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- CAS
887591-35-7- PubChem CID
- 53404145
- DTXSID
DTXSID60695330
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 598
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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