2-methyl-1-(3-methylsulfonylpropyl)imidazole

C8H14N2O2S — CID 63239256

IUPAC2-methyl-1-(3-methylsulfonylpropyl)imidazole
SMILESCc1nccn1CCCS(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-8-9-4-6-10(8)5-3-7-13(2,11)12/h4,6H,3,5,7H2,1-2H3
InChIKeyRNKNPZAIHDDJAG-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.63
Rot. Bonds4

About 2-methyl-1-(3-methylsulfonylpropyl)imidazole

2-methyl-1-(3-methylsulfonylpropyl)imidazole (PubChem CID 63239256) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfonylpropyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfonylpropyl)imidazole
PubChem CID63239256
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-methyl-1-(3-methylsulfonylpropyl)imidazole
SMILESCc1nccn1CCCS(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-8-9-4-6-10(8)5-3-7-13(2,11)12/h4,6H,3,5,7H2,1-2H3
InChIKeyRNKNPZAIHDDJAG-UHFFFAOYSA-N
XLogP0.63
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfonylpropyl)imidazole?
The IUPAC name of 2-methyl-1-(3-methylsulfonylpropyl)imidazole (CID 63239256) is 2-methyl-1-(3-methylsulfonylpropyl)imidazole.
What is the SMILES notation for 2-methyl-1-(3-methylsulfonylpropyl)imidazole?
The canonical SMILES for 2-methyl-1-(3-methylsulfonylpropyl)imidazole is Cc1nccn1CCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-1-(3-methylsulfonylpropyl)imidazole?
The InChIKey is RNKNPZAIHDDJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-8-9-4-6-10(8)5-3-7-13(2,11)12/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylsulfonylpropyl)imidazole?
2-methyl-1-(3-methylsulfonylpropyl)imidazole has a molecular weight of 202.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfonylpropyl)imidazole is sourced from PubChem (CID 63239256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).