8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane

C18H28N2O3S — CID 131677748

IUPAC8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane
SMILESCCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1C)C2
InChIInChI=1S/C18H28N2O3S/c1-4-23-12-16-9-10-19(3)18(11-16)13-20(14-18)24(21,22)17-8-6-5-7-15(17)2/h5-8,16H,4,9-14H2,1-3H3
InChIKeyWFXYQGCIIOYBDL-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.12
Rot. Bonds5

About 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane

8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane (PubChem CID 131677748) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane
PubChem CID131677748
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane
SMILESCCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1C)C2
InChIInChI=1S/C18H28N2O3S/c1-4-23-12-16-9-10-19(3)18(11-16)13-20(14-18)24(21,22)17-8-6-5-7-15(17)2/h5-8,16H,4,9-14H2,1-3H3
InChIKeyWFXYQGCIIOYBDL-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane (CID 131677748) is 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane is CCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1C)C2.
What is the InChIKey of 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane?
The InChIKey is WFXYQGCIIOYBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-23-12-16-9-10-19(3)18(11-16)13-20(14-18)24(21,22)17-8-6-5-7-15(17)2/h5-8,16H,4,9-14H2,1-3H3.
What are the key properties of 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane?
8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane has a molecular weight of 352.50 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 131677748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).