| CAS Number | 1286263-72-6 |
| Catalog Number | AG01DLA3 |
| Chemical Name | Tert-butyl (1-(ethylsulfonyl)piperidin-4-YL)methylcarbamate |
| IUPAC Name | tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate |
| InChI | InChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)10-14-12(16)19-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16) |
| InChI Key | ZMGFDSOOJLOPIN-UHFFFAOYSA-N |
| MDL Number | MFCD18378212 |
| Molecular Formula | C13H26N2O4S |
| Molecular Weight | 306.4215 |
| SMILES | CCS(=O)(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 |
| Synonyms | 1286263-72-6,
tert-Butyl [1-(ethylsulfonyl)piperidin-4-yl]methylcarbamate,
TERT-BUTYL (1-(ETHYLSULFONYL)PIPERIDIN-4-YL)METHYLCARBAMATE,
SCHEMBL17718110,
ZMGFDSOOJLOPIN-UHFFFAOYSA-N,
MFCD18378212,
ZINC67801254,
AS-44626,
t-Butyl (1-(ethylsulfonyl)piperidin-4-yl)methylcarbamate,
tert-butyl ((1-(ethylsulfonyl)piperidin-4-yl)methyl)carbamate,
TERT-BUTYL N-{[1-(ETHANESULFONYL)PIPERIDIN-4-YL]METHYL}CARBAMATE,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.421g/mol |
| Monoisotopic Mass | 306.161g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number