2-methyl-5-(methylsulfonylmethyl)-1H-imidazole

C6H10N2O2S — CID 117191407

IUPAC2-methyl-5-(methylsulfonylmethyl)-1H-imidazole
SMILESCc1ncc(CS(C)(=O)=O)[nH]1
InChIInChI=1S/C6H10N2O2S/c1-5-7-3-6(8-5)4-11(2,9)10/h3H,4H2,1-2H3,(H,7,8)
InChIKeyUAVNYZPNMLPZEN-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.26
Rot. Bonds2

About 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole

2-methyl-5-(methylsulfonylmethyl)-1H-imidazole (PubChem CID 117191407) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(methylsulfonylmethyl)-1H-imidazole
PubChem CID117191407
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-methyl-5-(methylsulfonylmethyl)-1H-imidazole
SMILESCc1ncc(CS(C)(=O)=O)[nH]1
InChIInChI=1S/C6H10N2O2S/c1-5-7-3-6(8-5)4-11(2,9)10/h3H,4H2,1-2H3,(H,7,8)
InChIKeyUAVNYZPNMLPZEN-UHFFFAOYSA-N
XLogP0.26
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole?
The IUPAC name of 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole (CID 117191407) is 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole?
The canonical SMILES for 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole is Cc1ncc(CS(C)(=O)=O)[nH]1.
What is the InChIKey of 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole?
The InChIKey is UAVNYZPNMLPZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-5-7-3-6(8-5)4-11(2,9)10/h3H,4H2,1-2H3,(H,7,8).
What are the key properties of 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole?
2-methyl-5-(methylsulfonylmethyl)-1H-imidazole has a molecular weight of 174.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfonylmethyl)-1H-imidazole is sourced from PubChem (CID 117191407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).