1,2-dimethyl-4-methylsulfonylimidazole

C6H10N2O2S — CID 10583371

IUPAC1,2-dimethyl-4-methylsulfonylimidazole
SMILESCc1nc(S(C)(=O)=O)cn1C
InChIInChI=1S/C6H10N2O2S/c1-5-7-6(4-8(5)2)11(3,9)10/h4H,1-3H3
InChIKeyMMALQLHEMCBYAH-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.13
Rot. Bonds1

About 1,2-dimethyl-4-methylsulfonylimidazole

1,2-dimethyl-4-methylsulfonylimidazole (PubChem CID 10583371) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1,2-dimethyl-4-methylsulfonylimidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-methylsulfonylimidazole
PubChem CID10583371
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1,2-dimethyl-4-methylsulfonylimidazole
SMILESCc1nc(S(C)(=O)=O)cn1C
InChIInChI=1S/C6H10N2O2S/c1-5-7-6(4-8(5)2)11(3,9)10/h4H,1-3H3
InChIKeyMMALQLHEMCBYAH-UHFFFAOYSA-N
XLogP0.13
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-methylsulfonylimidazole?
The IUPAC name of 1,2-dimethyl-4-methylsulfonylimidazole (CID 10583371) is 1,2-dimethyl-4-methylsulfonylimidazole.
What is the SMILES notation for 1,2-dimethyl-4-methylsulfonylimidazole?
The canonical SMILES for 1,2-dimethyl-4-methylsulfonylimidazole is Cc1nc(S(C)(=O)=O)cn1C.
What is the InChIKey of 1,2-dimethyl-4-methylsulfonylimidazole?
The InChIKey is MMALQLHEMCBYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-5-7-6(4-8(5)2)11(3,9)10/h4H,1-3H3.
What are the key properties of 1,2-dimethyl-4-methylsulfonylimidazole?
1,2-dimethyl-4-methylsulfonylimidazole has a molecular weight of 174.22 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-methylsulfonylimidazole is sourced from PubChem (CID 10583371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).