1-methyl-3-methylsulfonyl-2H-imidazole

C5H10N2O2S — CID 71381675

IUPAC1-methyl-3-methylsulfonyl-2H-imidazole
SMILESCN1C=CN(S(C)(=O)=O)C1
InChIInChI=1S/C5H10N2O2S/c1-6-3-4-7(5-6)10(2,8)9/h3-4H,5H2,1-2H3
InChIKeyNQZNMBAWROWSAX-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.38
Rot. Bonds1

About 1-methyl-3-methylsulfonyl-2H-imidazole

1-methyl-3-methylsulfonyl-2H-imidazole (PubChem CID 71381675) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-methyl-3-methylsulfonyl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-methylsulfonyl-2H-imidazole
PubChem CID71381675
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name1-methyl-3-methylsulfonyl-2H-imidazole
SMILESCN1C=CN(S(C)(=O)=O)C1
InChIInChI=1S/C5H10N2O2S/c1-6-3-4-7(5-6)10(2,8)9/h3-4H,5H2,1-2H3
InChIKeyNQZNMBAWROWSAX-UHFFFAOYSA-N
XLogP-0.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-methylsulfonyl-2H-imidazole 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 1-methyl-3-methylsulfonyl-2H-imidazole?
The IUPAC name of 1-methyl-3-methylsulfonyl-2H-imidazole (CID 71381675) is 1-methyl-3-methylsulfonyl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-methylsulfonyl-2H-imidazole?
The canonical SMILES for 1-methyl-3-methylsulfonyl-2H-imidazole is CN1C=CN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methyl-3-methylsulfonyl-2H-imidazole?
The InChIKey is NQZNMBAWROWSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-6-3-4-7(5-6)10(2,8)9/h3-4H,5H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfonyl-2H-imidazole?
1-methyl-3-methylsulfonyl-2H-imidazole has a molecular weight of 162.21 g/mol, XLogP of -0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfonyl-2H-imidazole is sourced from PubChem (CID 71381675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).