1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one

C7H12N2O3S — CID 115773769

IUPAC1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one
SMILESCn1ccn(CCS(C)(=O)=O)c1=O
InChIInChI=1S/C7H12N2O3S/c1-8-3-4-9(7(8)10)5-6-13(2,11)12/h3-4H,5-6H2,1-2H3
InChIKeyRBRGUBIDMKGVJX-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.77
Rot. Bonds3

About 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one

1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one (PubChem CID 115773769) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one
PubChem CID115773769
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one
SMILESCn1ccn(CCS(C)(=O)=O)c1=O
InChIInChI=1S/C7H12N2O3S/c1-8-3-4-9(7(8)10)5-6-13(2,11)12/h3-4H,5-6H2,1-2H3
InChIKeyRBRGUBIDMKGVJX-UHFFFAOYSA-N
XLogP-0.77
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one?
The IUPAC name of 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one (CID 115773769) is 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one.
What is the SMILES notation for 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one?
The canonical SMILES for 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one is Cn1ccn(CCS(C)(=O)=O)c1=O.
What is the InChIKey of 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one?
The InChIKey is RBRGUBIDMKGVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-8-3-4-9(7(8)10)5-6-13(2,11)12/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one?
1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one has a molecular weight of 204.25 g/mol, XLogP of -0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfonylethyl)imidazol-2-one is sourced from PubChem (CID 115773769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).