| CAS Number | 1934513-55-9 |
| Catalog Number | AG01C37S |
| Chemical Name | TERT-BUTYL 4-[IMINO(METHYL)OXO-LAMBDA6-SULFANYL]PIPERIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 4-(methylsulfonimidoyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C11H22N2O3S/c1-11(2,3)16-10(14)13-7-5-9(6-8-13)17(4,12)15/h9,12H,5-8H2,1-4H3 |
| InChI Key | VQVKCQUIZRJDBV-UHFFFAOYSA-N |
| MDL Number | MFCD29060362 |
| Molecular Formula | C11H22N2O3S |
| Molecular Weight | 262.3690 |
| SMILES | O=C(N1CCC(S(=O)(C)=N)CC1)OC(C)(C)C |
| Synonyms | tert-butyl 4-[imino(methyl)oxo-lambda6-sulfanyl]piperidine-1-carboxylate,
1934513-55-9,
tert-butyl 4-[imino(methyl)oxo-lambda-sulfanyl]piperidine-1-carboxylate,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.368g/mol |
| Monoisotopic Mass | 262.135g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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