2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one

C12H24N2O3S — CID 83245289

IUPAC2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-4-7-10-12(15)14(11(5-2)13-10)8-6-9-18(3,16)17/h10-11,13H,4-9H2,1-3H3
InChIKeyIDSUDKWMHJDJGO-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.76
Rot. Bonds7

About 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one

2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one (PubChem CID 83245289) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
PubChem CID83245289
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC)N(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-4-7-10-12(15)14(11(5-2)13-10)8-6-9-18(3,16)17/h10-11,13H,4-9H2,1-3H3
InChIKeyIDSUDKWMHJDJGO-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83248374
5-ethyl-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
3-pentyl-2,5-dipropylimidazolidin-4-one
CID 83250379
2-ethyl-3-methyl-5-propylimidazolidin-4-one
CID 83261092
5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256860
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247899
3-[3-[methyl(propan-2-yl)amino]propyl]-2,5-dipropylimidazolidin-4-one
CID 106053081
5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83237995
2-ethyl-5-propyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260860
5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
CID 83258702
5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254451

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one (CID 83245289) is 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one is CCCC1NC(CC)N(CCCS(C)(=O)=O)C1=O.
What is the InChIKey of 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one?
The InChIKey is IDSUDKWMHJDJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-7-10-12(15)14(11(5-2)13-10)8-6-9-18(3,16)17/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one?
2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one has a molecular weight of 276.40 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83245289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).