methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

C11H12N2O4S — CID 117256887

IUPACmethyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CS(C)(=O)=O)cnc12
InChIInChI=1S/C11H12N2O4S/c1-17-11(14)9-4-3-5-13-8(6-12-10(9)13)7-18(2,15)16/h3-6H,7H2,1-2H3
InChIKeyUTLWNFISUZJIJD-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.67
Rot. Bonds3

About methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117256887) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117256887
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Namemethyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CS(C)(=O)=O)cnc12
InChIInChI=1S/C11H12N2O4S/c1-17-11(14)9-4-3-5-13-8(6-12-10(9)13)7-18(2,15)16/h3-6H,7H2,1-2H3
InChIKeyUTLWNFISUZJIJD-UHFFFAOYSA-N
XLogP0.67
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872
methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256875
methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256877
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869
3-(sulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256926
methyl 8-aminoimidazo[1,2-a]pyridine-3-carboxylate
CID 131336795
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
methyl 5-(methylsulfonylmethyl)-1,3-thiazole-2-carboxylate
CID 164907541
methyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 141364137
methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257442
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256876

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 117256887) is methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(CS(C)(=O)=O)cnc12.
What is the InChIKey of methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is UTLWNFISUZJIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-17-11(14)9-4-3-5-13-8(6-12-10(9)13)7-18(2,15)16/h3-6H,7H2,1-2H3.
What are the key properties of methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 268.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117256887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).