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

C17H25ClN2O3S — CID 131677753

IUPAC2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
SMILESCCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1Cl)C2
InChIInChI=1S/C17H25ClN2O3S/c1-3-23-11-14-8-9-19(2)17(10-14)12-20(13-17)24(21,22)16-7-5-4-6-15(16)18/h4-7,14H,3,8-13H2,1-2H3
InChIKeyIGWPSYCQZJXARN-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.46
Rot. Bonds5

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

2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane (PubChem CID 131677753) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
PubChem CID131677753
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
SMILESCCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1Cl)C2
InChIInChI=1S/C17H25ClN2O3S/c1-3-23-11-14-8-9-19(2)17(10-14)12-20(13-17)24(21,22)16-7-5-4-6-15(16)18/h4-7,14H,3,8-13H2,1-2H3
InChIKeyIGWPSYCQZJXARN-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane
CID 131677748
8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131639072
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131671777
(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124870257
8-(ethoxymethyl)-5-methyl-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678334
3-(2-chlorophenyl)-1-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 124818818
2-[(3,5-dimethoxyphenyl)methyl]-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677402
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 133142916
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane
CID 131669233

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane (CID 131677753) is 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane is CCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1Cl)C2.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
The InChIKey is IGWPSYCQZJXARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-3-23-11-14-8-9-19(2)17(10-14)12-20(13-17)24(21,22)16-7-5-4-6-15(16)18/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane?
2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane has a molecular weight of 372.92 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 131677753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).