| CAS Number | 1375191-46-0 |
| Catalog Number | AG019SQX(AGN-PC-0WO8JK) |
| Chemical Name | tert-butyl 4-(azetidine-3-sulfonyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(azetidin-3-ylsulfonyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C12H23N3O4S/c1-12(2,3)19-11(16)14-4-6-15(7-5-14)20(17,18)10-8-13-9-10/h10,13H,4-9H2,1-3H3 |
| InChI Key | FOAFVBYHCRHASF-UHFFFAOYSA-N |
| MDL Number | MFCD21602459 |
| Molecular Formula | C12H23N3O4S |
| Molecular Weight | 305.3937 |
| SMILES | O=C(N1CCN(S(=O)(C2CNC2)=O)CC1)OC(C)(C)C |
| Synonyms | tert-butyl 4-(azetidine-3-sulfonyl)piperazine-1-carboxylate,
1375191-46-0,
ZINC72266332,
AKOS026728843,
MCULE-8280205427,
NE19316,
Z1276745162,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.393g/mol |
| Monoisotopic Mass | 305.141g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number