4-methyl-1-methylsulfonylimidazolidin-2-one

C5H10N2O3S — CID 13031746

IUPAC4-methyl-1-methylsulfonylimidazolidin-2-one
SMILESCC1CN(S(C)(=O)=O)C(=O)N1
InChIInChI=1S/C5H10N2O3S/c1-4-3-7(5(8)6-4)11(2,9)10/h4H,3H2,1-2H3,(H,6,8)
InChIKeyZHAAJXUTKPIULL-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.64
Rot. Bonds1

About 4-methyl-1-methylsulfonylimidazolidin-2-one

4-methyl-1-methylsulfonylimidazolidin-2-one (PubChem CID 13031746) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonylimidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-methylsulfonylimidazolidin-2-one
PubChem CID13031746
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name4-methyl-1-methylsulfonylimidazolidin-2-one
SMILESCC1CN(S(C)(=O)=O)C(=O)N1
InChIInChI=1S/C5H10N2O3S/c1-4-3-7(5(8)6-4)11(2,9)10/h4H,3H2,1-2H3,(H,6,8)
InChIKeyZHAAJXUTKPIULL-UHFFFAOYSA-N
XLogP-0.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonylimidazolidin-2-one?
The IUPAC name of 4-methyl-1-methylsulfonylimidazolidin-2-one (CID 13031746) is 4-methyl-1-methylsulfonylimidazolidin-2-one.
What is the SMILES notation for 4-methyl-1-methylsulfonylimidazolidin-2-one?
The canonical SMILES for 4-methyl-1-methylsulfonylimidazolidin-2-one is CC1CN(S(C)(=O)=O)C(=O)N1.
What is the InChIKey of 4-methyl-1-methylsulfonylimidazolidin-2-one?
The InChIKey is ZHAAJXUTKPIULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-4-3-7(5(8)6-4)11(2,9)10/h4H,3H2,1-2H3,(H,6,8).
What are the key properties of 4-methyl-1-methylsulfonylimidazolidin-2-one?
4-methyl-1-methylsulfonylimidazolidin-2-one has a molecular weight of 178.21 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonylimidazolidin-2-one is sourced from PubChem (CID 13031746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).