| CAS Number | 1097880-26-6 |
| Catalog Number | AG01EFNC |
| Chemical Name | (S)-Tert-Butyl 4-(((Tert-Butylsulfinyl)Imino)Methyl)Piperidine-1-Carboxylate |
| IUPAC Name | tert-butyl 4-[[(S)-tert-butylsulfinyl]iminomethyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C15H28N2O3S/c1-14(2,3)20-13(18)17-9-7-12(8-10-17)11-16-21(19)15(4,5)6/h11-12H,7-10H2,1-6H3/t21-/m0/s1 |
| InChI Key | OSFSLHGOXVVNSS-NRFANRHFSA-N |
| MDL Number | MFCD18781720 |
| Molecular Formula | C15H28N2O3S |
| Molecular Weight | 316.4594 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C=N[S@@](=O)C(C)(C)C |
| Synonyms | (S)-tert-Butyl 4-(((tert-butylsulfinyl)imino)methyl)piperidine-1-carboxylate,
1097880-26-6,
OSFSLHGOXVVNSS-HZBHDWBUSA-N,
ZINC203616031,
(S,E)-tert-butyl 4-(((tert-butylsulfinyl)imino)methyl)piperidine-1-carboxylate,
(S,E)-tert-butyl 4-((tert-butylsulfinylimino)methyl)piperidine-1-carboxylate,
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| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.46g/mol |
| Monoisotopic Mass | 316.182g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number