TL;DR: (3-(1,1-Dioxido-1,2-thiazinan-2-yl)phenyl)(4-methylpiperazin-1-yl)methanone (CAS 1011704-37-2) is a chemical compound with molecular formula C16H23N3O3S and molecular weight 337.14603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
Also Known As: [3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone|(3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)(4-methylpiperazin-1-yl)methanone|[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl](4-methylpiperazin-1-yl)methanone|STK657416
| Molecular Formula | C16H23N3O3S |
| Molecular Weight | 337.14603 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.14603 Da |
| Heavy Atoms | 23 |
| Complexity | 523.0 |
| SMILES | CN1CCN(CC1)C(=O)C2=CC(=CC=C2)N3CCCCS3(=O)=O |
| InChIKey | KZQOZGOBVOEADY-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-(1,1-Dioxido-1,2-thiazinan-2-yl)phenyl)(4-methylpiperazin-1-yl)methanone. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-(1,1-Dioxido-1,2-thiazinan-2-yl)phenyl)(4-methylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (3-(1,1-Dioxido-1,2-thiazinan-2-yl)phenyl)(4-methylpiperazin-1-yl)methanone has 0 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 (3-(1,1-Dioxido-1,2-thiazinan-2-yl)phenyl)(4-methylpiperazin-1-yl)methanone is 1011704-37-2.
The molecular formula of (3-(1,1-Dioxido-1,2-thiazinan-2-yl)phenyl)(4-methylpiperazin-1-yl)methanone is C16H23N3O3S.
The molecular weight of (3-(1,1-Dioxido-1,2-thiazinan-2-yl)phenyl)(4-methylpiperazin-1-yl)methanone is 337.14603 g/mol.
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