| CAS Number | 2059910-06-2 |
| Catalog Number | AG01BRSL |
| Chemical Name | rac-tert-butyl N-[(1R,2R)-2-cyclopropanesulfonamidocyclohexyl]carbamate, trans |
| IUPAC Name | tert-butyl N-[(1R,2R)-2-(cyclopropylsulfonylamino)cyclohexyl]carbamate |
| InChI | InChI=1S/C14H26N2O4S/c1-14(2,3)20-13(17)15-11-6-4-5-7-12(11)16-21(18,19)10-8-9-10/h10-12,16H,4-9H2,1-3H3,(H,15,17)/t11-,12-/m1/s1 |
| InChI Key | KLYBZRRRWQMSRC-VXGBXAGGSA-N |
| MDL Number | MFCD30535871 |
| Molecular Formula | C14H26N2O4S |
| Molecular Weight | 318.4322 |
| SMILES | O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 |
| Synonyms | 2059910-06-2,
AKOS034812666,
ZINC173051410,
Z2409403625,
tert-butyl N-[(1R,2R)-2-cyclopropanesulfonamidocyclohexyl]carbamate,
rac-tert-butyl N-[(1R,2R)-2-cyclopropanesulfonamidocyclohexyl]carbamate, trans,
|
| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.432g/mol |
| Monoisotopic Mass | 318.161g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number