| CAS Number | 1246203-81-5 |
| Catalog Number | AG01DJQB(AGN-PC-0H4VXQ) |
| Chemical Name | benzyl 4-(methylsulfamoyl)piperidine-1-carboxylate |
| IUPAC Name | benzyl 4-(methylsulfamoyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H20N2O4S/c1-15-21(18,19)13-7-9-16(10-8-13)14(17)20-11-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3 |
| InChI Key | HNOPQBDGGUPGHS-UHFFFAOYSA-N |
| MDL Number | MFCD31803169 |
| Molecular Formula | C14H20N2O4S |
| Molecular Weight | 312.3846 |
| SMILES | CNS(=O)(=O)C1CCN(CC1)C(=O)OCc1ccccc1 |
| Synonyms | SCHEMBL477390,
HNOPQBDGGUPGHS-UHFFFAOYSA-N,
AS-69172,
benzyl 4-(methylsulfamoyl)piperidine-1-carboxylate,
benzyl 4-[(methylamino)sulfonyl]-1-piperidinecarboxylate,
1246203-81-5,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.114378g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.39g/mol |
| Monoisotopic Mass | 312.114378g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number