TL;DR: 3-Thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide (CAS 14292-53-6) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dioxo-6,6-diphenyl-1,4-thiazinan-3-one
Also Known As: 2,2-Diphenyl-3-thiomorpholinone 1,1-dioxide, 3-Thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide, 1,1-dioxo-6,6-diphenyl-1,4-thiazinan-3-one, 6,6-Diphenyl-1lambda~6~-thiomorpholine-1,1,3-trione
| Molecular Formula | C16H15NO3S |
| Molecular Weight | 301.07727 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.07727 Da |
| Heavy Atoms | 21 |
| Complexity | 464.0 |
| SMILES | C1C(=O)NCC(S1(=O)=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | JCTAAFHNUHHGLW-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide. Following Lipinski's Rule of Five, 3-Thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide is 14292-53-6.
The molecular formula of 3-Thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide is C16H15NO3S.
The molecular weight of 3-Thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide is 301.07727 g/mol.
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