5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one

C12H24N2O3S — CID 83247899

IUPAC5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-5-10-12(15)14(11(13-10)9(2)3)7-6-8-18(4,16)17/h9-11,13H,5-8H2,1-4H3
InChIKeyHYRFZEGMQFLXML-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.61
Rot. Bonds6

About 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one

5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83247899) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83247899
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-5-10-12(15)14(11(13-10)9(2)3)7-6-8-18(4,16)17/h9-11,13H,5-8H2,1-4H3
InChIKeyHYRFZEGMQFLXML-UHFFFAOYSA-N
XLogP0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782
5-ethyl-3-(4-methoxybutyl)-2-propan-2-ylimidazolidin-4-one
CID 83245585
5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259681
2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83248374
3-(2-cyclopropylethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 83258772
5-ethyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83242217
2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
CID 83245289
6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903765
5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916125
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 106053040
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83245286

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one (CID 83247899) is 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one is CCC1NC(C(C)C)N(CCCS(C)(=O)=O)C1=O.
What is the InChIKey of 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is HYRFZEGMQFLXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-5-10-12(15)14(11(13-10)9(2)3)7-6-8-18(4,16)17/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one?
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 276.40 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83247899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).