TL;DR: Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((3-chlorophenyl)sulfonyl)-7'-(2-methylpropyl)- (CAS 120466-19-5) is a chemical compound with molecular formula C22H33ClN2O2S and molecular weight 424.19513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chlorophenyl)sulfonyl-7-(2-methylpropyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
Also Known As: Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((3-chlorophenyl)sulfonyl)-7'-(2-methylpropyl)-, 3-(3-chlorophenyl)sulfonyl-7-(2-methylpropyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane], 3-(3-Chlorobenzene-1-sulfonyl)-7-(2-methylpropyl)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclohexane]
| Molecular Formula | C22H33ClN2O2S |
| Molecular Weight | 424.19513 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.19513 Da |
| Heavy Atoms | 28 |
| Complexity | 623.0 |
| SMILES | CC(C)CN1CC2CN(CC(C1)C23CCCCC3)S(=O)(=O)C4=CC(=CC=C4)Cl |
| InChIKey | JWBGRPADDRWMBI-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((3-chlorophenyl)sulfonyl)-7'-(2-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((3-chlorophenyl)sulfonyl)-7'-(2-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((3-chlorophenyl)sulfonyl)-7'-(2-methylpropyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((3-chlorophenyl)sulfonyl)-7'-(2-methylpropyl)- is 120466-19-5.
The molecular formula of Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((3-chlorophenyl)sulfonyl)-7'-(2-methylpropyl)- is C22H33ClN2O2S.
The molecular weight of Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((3-chlorophenyl)sulfonyl)-7'-(2-methylpropyl)- is 424.19513 g/mol.
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