| CAS Number | 901273-25-4 |
| Catalog Number | AG019M3S |
| Chemical Name | methyl 1-(4-aminobenzenesulfonyl)piperidine-3-carboxylate |
| IUPAC Name | methyl 1-(4-aminophenyl)sulfonylpiperidine-3-carboxylate |
| InChI | InChI=1S/C13H18N2O4S/c1-19-13(16)10-3-2-8-15(9-10)20(17,18)12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9,14H2,1H3 |
| InChI Key | BAOLKNAVYGHZBM-UHFFFAOYSA-N |
| MDL Number | MFCD07366424 |
| Molecular Formula | C13H18N2O4S |
| Molecular Weight | 298.3580 |
| SMILES | COC(C1CN(S(C2=CC=C(N)C=C2)(=O)=O)CCC1)=O |
| Synonyms | methyl 1-(4-aminobenzenesulfonyl)piperidine-3-carboxylate,
901273-25-4,
AKOS017279061,
MCULE-5760211761,
NE13638,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.357g/mol |
| Monoisotopic Mass | 298.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number