TL;DR: N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide (CAS 1011704-27-0) is a chemical compound with molecular formula C19H26N2O3S and molecular weight 362.1664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
Also Known As: AS-871/43476701, N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide, N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide, N-[2-(1-cyclohexen-1-yl)ethyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide, N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide
| Molecular Formula | C19H26N2O3S |
| Molecular Weight | 362.1664 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.1664 Da |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
| SMILES | C1CCC(=CC1)CCNC(=O)C2=CC(=CC=C2)N3CCCCS3(=O)=O |
| InChIKey | GRMXUEPQGKEOBO-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide. Following Lipinski's Rule of Five, N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide is 1011704-27-0.
The molecular formula of N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide is C19H26N2O3S.
The molecular weight of N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide is 362.1664 g/mol.
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