TL;DR: Formamide, N-2-azabicyclo(2.2.2)oct-2-yl-N-((4-methylphenyl)sulfonyl)- (CAS 63980-08-5) is a chemical compound with molecular formula C15H20N2O3S and molecular weight 308.11948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-azabicyclo[2.2.2]octan-2-yl)-N-(4-methylphenyl)sulfonylformamide
Also Known As: N-4-Toluenesulfonyl, isoquinuclidylformamide, FORMAMIDE, N-2-AZABICYCLO(2.2.2)OCT-2-YL-N-((4-METHYLPHENYL)SULFONYL)-, N-2-Azabicyclo(2.2.2)oct-2-yl-N-((4-methylphenyl)sulfonyl)formamide, N-[2-Azabicyclo[2.2.2]oct-2-yl]-N-[(4-methylphenyl)sulfonyl]formamide, Formamide, N-2-azabicyclo[2.2.2]oct-2-yl-N-[(4-methylphenyl)sulfonyl]-
| Molecular Formula | C15H20N2O3S |
| Molecular Weight | 308.11948 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.11948 Da |
| Heavy Atoms | 21 |
| Complexity | 472.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C=O)N2CC3CCC2CC3 |
| InChIKey | QEOXXJRDQNGQLQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Formamide, N-2-azabicyclo(2.2.2)oct-2-yl-N-((4-methylphenyl)sulfonyl)-. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Formamide, N-2-azabicyclo(2.2.2)oct-2-yl-N-((4-methylphenyl)sulfonyl)-. Following Lipinski's Rule of Five, Formamide, N-2-azabicyclo(2.2.2)oct-2-yl-N-((4-methylphenyl)sulfonyl)- has 0 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 Formamide, N-2-azabicyclo(2.2.2)oct-2-yl-N-((4-methylphenyl)sulfonyl)- is 63980-08-5.
The molecular formula of Formamide, N-2-azabicyclo(2.2.2)oct-2-yl-N-((4-methylphenyl)sulfonyl)- is C15H20N2O3S.
The molecular weight of Formamide, N-2-azabicyclo(2.2.2)oct-2-yl-N-((4-methylphenyl)sulfonyl)- is 308.11948 g/mol.
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