3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one

C7H12N2O2S — CID 103126015

IUPAC3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one
SMILESCC(CS(C)=O)n1cc[nH]c1=O
InChIInChI=1S/C7H12N2O2S/c1-6(5-12(2)11)9-4-3-8-7(9)10/h3-4,6H,5H2,1-2H3,(H,8,10)
InChIKeyJWLKWRJOFBWRPH-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.12
Rot. Bonds3

About 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one

3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one (PubChem CID 103126015) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one
PubChem CID103126015
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one
SMILESCC(CS(C)=O)n1cc[nH]c1=O
InChIInChI=1S/C7H12N2O2S/c1-6(5-12(2)11)9-4-3-8-7(9)10/h3-4,6H,5H2,1-2H3,(H,8,10)
InChIKeyJWLKWRJOFBWRPH-UHFFFAOYSA-N
XLogP0.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one (CID 103126015) is 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one is CC(CS(C)=O)n1cc[nH]c1=O.
What is the InChIKey of 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one?
The InChIKey is JWLKWRJOFBWRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-6(5-12(2)11)9-4-3-8-7(9)10/h3-4,6H,5H2,1-2H3,(H,8,10).
What are the key properties of 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one?
3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one has a molecular weight of 188.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 103126015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).