tert-Butyl 4-(2-aminophenylsulfonamido)piperidine-1-carboxylate
Basic information
- CAS
1233958-26-3- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccccc2N)CC1- InChIKey
ZXNLMYWIWPCWAM-UHFFFAOYSA-N- Molecular formula
- C16H25N3O4S
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.15657746
Names & identifiers
- Preferred name
- tert-Butyl 4-(2-aminophenylsulfonamido)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(2-aminophenyl)sulfonylamino]piperidine-1-carboxylate
- English name
- tert-Butyl 4-(2-aminophenylsulfonamido)piperidine-1-carboxylate
- Molecular formula
- C16H25N3O4S
- Molecular weight
- 355.45
Names & synonyms
1233958-26-3tert-Butyl 4-(2-aminophenylsulfonamido)piperidine-1-carboxylatetert-butyl 4-[(2-aminophenyl)sulfonylamino]piperidine-1-carboxylateMFCD17018739SCHEMBL31234649DTXSID601140689AKOS026671729KS-59781-Boc-4-(2-aminophenylsulfonamido)piperidineF063550tert-Butyl4-(2-aminophenylsulfonamido)piperidine-1-carboxylateTert-butyl 4-((2-aminophenyl)sulfonamido)piperidine-1-carboxylate
Show more names
1-Piperidinecarboxylic acid, 4-[[(2-aminophenyl)sulfonyl]amino]-, 1,1-dimethylethyl ester
tert-Butyl 4-[(2-aminobenzene-1-sulfonyl)amino]piperidine-1-carboxylate1,1-Dimethylethyl 4-[[(2-aminophenyl)sulfonyl]amino]-1-piperidinecarboxylate
Database identifiers
- CAS
1233958-26-3- PubChem CID
- 53255669
- DTXSID
DTXSID601140689
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Boiling point
- 514 · 514.0±60.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 11.41 · 11.41±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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