2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one

C13H26N2O3S — CID 83248374

IUPAC2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)C(=O)N1CCCS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-5-12-14-11(9-10(2)3)13(16)15(12)7-6-8-19(4,17)18/h10-12,14H,5-9H2,1-4H3
InChIKeyAJIQIBCKPZMOEA-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.00
Rot. Bonds7

About 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one

2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one (PubChem CID 83248374) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
PubChem CID83248374
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)C(=O)N1CCCS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-5-12-14-11(9-10(2)3)13(16)15(12)7-6-8-19(4,17)18/h10-12,14H,5-9H2,1-4H3
InChIKeyAJIQIBCKPZMOEA-UHFFFAOYSA-N
XLogP1.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
CID 83245289
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256860
3-[3-(dimethylamino)propyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83250703
2-ethyl-5-(2-methylpropyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260824
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83245286
3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83251512
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247899
2-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83254714
3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83254863
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
CID 107819252

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The IUPAC name of 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one (CID 83248374) is 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one is CCC1NC(CC(C)C)C(=O)N1CCCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The InChIKey is AJIQIBCKPZMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-5-12-14-11(9-10(2)3)13(16)15(12)7-6-8-19(4,17)18/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one has a molecular weight of 290.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83248374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).