TL;DR: TERT-BUTYL N-[(1S)-3-METHYL-1-(5-SULFANYL-1,3,4-OXADIAZOL-2-YL)BUTYL]CARBAMATE (CAS 1217768-37-0) is a chemical compound with molecular formula C12H21N3O3S and molecular weight 287.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-3-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)butyl]carbamate
Also Known As: TERT-BUTYL N-[(1S)-3-METHYL-1-(5-SULFANYL-1,3,4-OXADIAZOL-2-YL)BUTYL]CARBAMATE, tert-butyl N-[(1S)-3-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)butyl]carbamate, tert-butyl [(1S)-3-methyl-1-(5-sulfanyl-1,3,4-oxadiazol-2-yl)butyl]carbamate
| Molecular Formula | C12H21N3O3S |
| Molecular Weight | 287.13037 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.13037 Da |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
| SMILES | CC(C)C[C@@H](C1=NNC(=S)O1)NC(=O)OC(C)(C)C |
| InChIKey | SVMJHKOSYDLJDF-QMMMGPOBSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TERT-BUTYL N-[(1S)-3-METHYL-1-(5-SULFANYL-1,3,4-OXADIAZOL-2-YL)BUTYL]CARBAMATE. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TERT-BUTYL N-[(1S)-3-METHYL-1-(5-SULFANYL-1,3,4-OXADIAZOL-2-YL)BUTYL]CARBAMATE. Following Lipinski's Rule of Five, TERT-BUTYL N-[(1S)-3-METHYL-1-(5-SULFANYL-1,3,4-OXADIAZOL-2-YL)BUTYL]CARBAMATE has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of TERT-BUTYL N-[(1S)-3-METHYL-1-(5-SULFANYL-1,3,4-OXADIAZOL-2-YL)BUTYL]CARBAMATE is 1217768-37-0.
The molecular formula of TERT-BUTYL N-[(1S)-3-METHYL-1-(5-SULFANYL-1,3,4-OXADIAZOL-2-YL)BUTYL]CARBAMATE is C12H21N3O3S.
The molecular weight of TERT-BUTYL N-[(1S)-3-METHYL-1-(5-SULFANYL-1,3,4-OXADIAZOL-2-YL)BUTYL]CARBAMATE is 287.13037 g/mol.
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