| CAS Number | 26103-50-4 |
| Catalog Number | AG018G2Q(AGN-PC-0WOTY5) |
| Chemical Name | 1-(Pyridine-3-sulfonyl)piperazine |
| IUPAC Name | 1-pyridin-3-ylsulfonylpiperazine |
| InChI | InChI=1S/C9H13N3O2S/c13-15(14,9-2-1-3-11-8-9)12-6-4-10-5-7-12/h1-3,8,10H,4-7H2 |
| InChI Key | IJCSWJUPKXRQBR-UHFFFAOYSA-N |
| MDL Number | MFCD09743152 |
| Molecular Formula | C9H13N3O2S |
| Molecular Weight | 227.2834 |
| SMILES | O=S(C1=CN=CC=C1)(N1CCNCC1)=O |
| Synonyms | 1-(pyridine-3-sulfonyl)piperazine,
1-(pyridin-3-ylsulfonyl)piperazine,
26103-50-4,
AC1Q6VKG,
CTK7I2097,
ZINC34650984,
AKOS000186777,
MCULE-7872675456,
NE34997,
EN300-35724,
F2145-0060,
Z367452400,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.282g/mol |
| Monoisotopic Mass | 227.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number