| CAS Number | 1888791-63-6 |
| Catalog Number | AG01AP5D |
| Chemical Name | tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(fluorosulfonylmethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C11H20FNO4S/c1-11(2,3)17-10(14)13-6-4-9(5-7-13)8-18(12,15)16/h9H,4-8H2,1-3H3 |
| InChI Key | UYAGDJINCUAKSL-UHFFFAOYSA-N |
| MDL Number | MFCD31380933 |
| Molecular Formula | C11H20FNO4S |
| Molecular Weight | 281.3442 |
| SMILES | CC(OC(N1CCC(CS(F)(=O)=O)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-((fluorosulfonyl)methyl)piperidine-1-carboxylate,
1888791-63-6,
tert-butyl 4-[(fluorosulfonyl)methyl]piperidine-1-carboxylate,
ZINC259515695,
ES-2165,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.109707g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.35g/mol |
| Monoisotopic Mass | 281.109707g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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