5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one

C13H26N2O3S — CID 83264729

IUPAC5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C13H26N2O3S/c1-6-11-13(16)15(10(4)8-19(5,17)18)12(14-11)7-9(2)3/h9-12,14H,6-8H2,1-5H3
InChIKeyFINTYZOAIAXOHX-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.00
Rot. Bonds6

About 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one

5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one (PubChem CID 83264729) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
PubChem CID83264729
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C13H26N2O3S/c1-6-11-13(16)15(10(4)8-19(5,17)18)12(14-11)7-9(2)3/h9-12,14H,6-8H2,1-5H3
InChIKeyFINTYZOAIAXOHX-UHFFFAOYSA-N
XLogP1.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-(3-methylpentan-2-yl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246049
5-ethyl-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83263628
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263809
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
CID 83248176
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83264436
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83264410
5-ethyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83253081
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264830
5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260459
2-ethyl-3-(6-methylheptan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252990

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one (CID 83264729) is 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one is CCC1NC(CC(C)C)N(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The InChIKey is FINTYZOAIAXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-6-11-13(16)15(10(4)8-19(5,17)18)12(14-11)7-9(2)3/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one has a molecular weight of 290.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83264729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).