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

C7H12N2O3S — CID 103125699

IUPAC3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one
SMILESCC(CS(C)(=O)=O)n1cc[nH]c1=O
InChIInChI=1S/C7H12N2O3S/c1-6(5-13(2,11)12)9-4-3-8-7(9)10/h3-4,6H,5H2,1-2H3,(H,8,10)
InChIKeyKTVSORLGKGXAAI-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.22
Rot. Bonds3

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

3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one (PubChem CID 103125699) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one
PubChem CID103125699
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one
SMILESCC(CS(C)(=O)=O)n1cc[nH]c1=O
InChIInChI=1S/C7H12N2O3S/c1-6(5-13(2,11)12)9-4-3-8-7(9)10/h3-4,6H,5H2,1-2H3,(H,8,10)
InChIKeyKTVSORLGKGXAAI-UHFFFAOYSA-N
XLogP-0.22
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one (CID 103125699) is 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one is CC(CS(C)(=O)=O)n1cc[nH]c1=O.
What is the InChIKey of 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one?
The InChIKey is KTVSORLGKGXAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-6(5-13(2,11)12)9-4-3-8-7(9)10/h3-4,6H,5H2,1-2H3,(H,8,10).
What are the key properties of 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one?
3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one has a molecular weight of 204.25 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 103125699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).