| CAS Number | 1262310-00-8 |
| Catalog Number | AG00AADE(AGN-PC-0WCRUH) |
| Chemical Name | tert-Butyl 1-(methylsulfonyl)piperidin-3-ylcarbamate |
| IUPAC Name | tert-butyl N-(1-methylsulfonylpiperidin-3-yl)carbamate |
| InChI | InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)12-9-6-5-7-13(8-9)18(4,15)16/h9H,5-8H2,1-4H3,(H,12,14) |
| InChI Key | UXYFDFIFACOEAI-UHFFFAOYSA-N |
| MDL Number | MFCD24396547 |
| Molecular Formula | C11H22N2O4S |
| Molecular Weight | 278.3684 |
| SMILES | O=C(OC(C)(C)C)NC1CN(S(=O)(C)=O)CCC1 |
| Synonyms | 1262310-00-8,
tert-butyl 1-(methylsulfonyl)piperidin-3-ylcarbamate,
tert-butyl N-(1-methanesulfonylpiperidin-3-yl)carbamate,
AKOS027422937,
RL01296,
J-524384,
tert-Butyl (1-(methylsulfonyl)piperidin-3-yl)carbamate,
Z751864406,
UXYFDFIFACOEAI-UHFFFAOYSA-N,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.367g/mol |
| Monoisotopic Mass | 278.13g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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