| CAS Number | 873537-44-1 |
| Catalog Number | AG01B1BY(AGN-PC-01655N) |
| Chemical Name | 1-(3-Aminobenzenesulfonyl)piperidin-4-ol |
| IUPAC Name | 1-(3-aminophenyl)sulfonylpiperidin-4-ol |
| InChI | InChI=1S/C11H16N2O3S/c12-9-2-1-3-11(8-9)17(15,16)13-6-4-10(14)5-7-13/h1-3,8,10,14H,4-7,12H2 |
| InChI Key | RKQBAQBLRVGWLQ-UHFFFAOYSA-N |
| MDL Number | MFCD09735752 |
| Molecular Formula | C11H16N2O3S |
| Molecular Weight | 256.3213 |
| SMILES | NC=1C=C(C=CC1)S(=O)(=O)N1CCC(CC1)O |
| Synonyms | 1-(3-aminobenzenesulfonyl)piperidin-4-ol,
873537-44-1,
1-(3-Amino-benzenesulfonyl)-piperidin-4-ol,
SCHEMBL854796,
CTK8A0591,
ZINC22213833,
AKOS000144318,
NE31842,
1-[(3-AMINOPHENYL)SULFONYL]PIPERIDIN-4-OL,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.32g/mol |
| Monoisotopic Mass | 256.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number