3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

C13H24N2O3S — CID 83256534

IUPAC3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C13H24N2O3S/c1-3-6-11-14-13(7-4-5-8-13)12(16)15(11)9-10-19(2,17)18/h11,14H,3-10H2,1-2H3
InChIKeyFOXUWVJOWBRVOM-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.90
Rot. Bonds5

About 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83256534) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83256534
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C13H24N2O3S/c1-3-6-11-14-13(7-4-5-8-13)12(16)15(11)9-10-19(2,17)18/h11,14H,3-10H2,1-2H3
InChIKeyFOXUWVJOWBRVOM-UHFFFAOYSA-N
XLogP0.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-5-methyl-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256448
3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246938
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 106053072
3-(2-cyclopentyloxyethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264491
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
5-propyl-6-(3,3,3-trifluoropropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254359
6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255546
6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83258164
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256700
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83256534) is 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC1NC2(CCCC2)C(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is FOXUWVJOWBRVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-6-11-14-13(7-4-5-8-13)12(16)15(11)9-10-19(2,17)18/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 288.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83256534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).