| CAS Number | 697258-71-2 |
| Catalog Number | AG019M0Y |
| Chemical Name | 1-(Pyridine-3-sulfonyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H14N2O4S/c14-11(15)9-3-6-13(7-4-9)18(16,17)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2,(H,14,15) |
| InChI Key | RBKAABCGXZKFCH-UHFFFAOYSA-N |
| MDL Number | MFCD09951512 |
| Molecular Formula | C11H14N2O4S |
| Molecular Weight | 270.3049 |
| SMILES | OC(C1CCN(S(C2=CN=CC=C2)(=O)=O)CC1)=O |
| Synonyms | 1-(pyridine-3-sulfonyl)piperidine-4-carboxylic acid,
1-(pyridin-3-ylsulfonyl)piperidine-4-carboxylic acid,
697258-71-2,
MLS000047145,
AC1MMR1H,
AC1Q74NS,
CHEMBL1458211,
CTK7J0284,
HMS2284D15,
ZINC224271,
AKOS000195263,
MCULE-3021114671,
NE20352,
SMR000033156,
EU-0066135,
EN300-33659,
1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid,
SR-01000087802,
SR-01000087802-1,
Z367452166,
CID3243078,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.303g/mol |
| Monoisotopic Mass | 270.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number