3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one

C12H24N2O3S — CID 83256782

IUPAC3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-5-6-10-12(15)14(7-8-18(4,16)17)11(13-10)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyLFOWVWMESGYITO-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.61
Rot. Bonds6

About 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one

3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one (PubChem CID 83256782) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
PubChem CID83256782
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-5-6-10-12(15)14(7-8-18(4,16)17)11(13-10)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyLFOWVWMESGYITO-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

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Related Compounds

3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247899
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 106053040
5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256860
3-methyl-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83260226
3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 102915982
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83264436
2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
CID 83245289
3-(cyclobutylmethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243576
3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83255729
5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83269097
3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one
CID 114112490

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one (CID 83256782) is 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one is CCCC1NC(C(C)C)N(CCS(C)(=O)=O)C1=O.
What is the InChIKey of 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is LFOWVWMESGYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-5-6-10-12(15)14(7-8-18(4,16)17)11(13-10)9(2)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-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 3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83256782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).