2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one

C9H18N2O3S — CID 83259357

IUPAC2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
SMILESCC1NCC(=O)N1CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-7-10-5-8(12)11(7)6-9(2,3)15(4,13)14/h7,10H,5-6H2,1-4H3
InChIKeyFQDFCUWUMKSVJE-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.41
Rot. Bonds3

About 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one

2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one (PubChem CID 83259357) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
PubChem CID83259357
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
SMILESCC1NCC(=O)N1CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-7-10-5-8(12)11(7)6-9(2,3)15(4,13)14/h7,10H,5-6H2,1-4H3
InChIKeyFQDFCUWUMKSVJE-UHFFFAOYSA-N
XLogP-0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethylazaniumyl]propane-1-sulfonate
CID 155542730
N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 57099690
1-[(2R)-2-isocyanopyrrolidin-1-yl]-2-(2-methylsulfonylethylamino)ethanone
CID 57987712
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837489
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837490
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379878
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379879
5-(2-Methylsulfonylethyl)-3-propylimidazolidine-2,4-dione
CID 43401649
3-Butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 43401651
5-(2-Methylsulfonylethyl)-3-propan-2-ylimidazolidine-2,4-dione
CID 43557970
3-Tert-butyl-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 43557985
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(ethylcarbamoyl)acetamide
CID 47109658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one?
The IUPAC name of 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one (CID 83259357) is 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one is CC1NCC(=O)N1CC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one?
The InChIKey is FQDFCUWUMKSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-7-10-5-8(12)11(7)6-9(2,3)15(4,13)14/h7,10H,5-6H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one?
2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one has a molecular weight of 234.32 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83259357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).