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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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).