1-methyl-5-methylsulfonylimidazole

C5H8N2O2S — CID 58710060

IUPAC1-methyl-5-methylsulfonylimidazole
SMILESCn1cncc1S(C)(=O)=O
InChIInChI=1S/C5H8N2O2S/c1-7-4-6-3-5(7)10(2,8)9/h3-4H,1-2H3
InChIKeyBFJUQZBQKZCTQS-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.18
Rot. Bonds1

About 1-methyl-5-methylsulfonylimidazole

1-methyl-5-methylsulfonylimidazole (PubChem CID 58710060) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-methyl-5-methylsulfonylimidazole.

Molecular Properties

Compound Name1-methyl-5-methylsulfonylimidazole
PubChem CID58710060
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name1-methyl-5-methylsulfonylimidazole
SMILESCn1cncc1S(C)(=O)=O
InChIInChI=1S/C5H8N2O2S/c1-7-4-6-3-5(7)10(2,8)9/h3-4H,1-2H3
InChIKeyBFJUQZBQKZCTQS-UHFFFAOYSA-N
XLogP-0.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylsulfonylimidazole?
The IUPAC name of 1-methyl-5-methylsulfonylimidazole (CID 58710060) is 1-methyl-5-methylsulfonylimidazole.
What is the SMILES notation for 1-methyl-5-methylsulfonylimidazole?
The canonical SMILES for 1-methyl-5-methylsulfonylimidazole is Cn1cncc1S(C)(=O)=O.
What is the InChIKey of 1-methyl-5-methylsulfonylimidazole?
The InChIKey is BFJUQZBQKZCTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-7-4-6-3-5(7)10(2,8)9/h3-4H,1-2H3.
What are the key properties of 1-methyl-5-methylsulfonylimidazole?
1-methyl-5-methylsulfonylimidazole has a molecular weight of 160.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylsulfonylimidazole is sourced from PubChem (CID 58710060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).