8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine

C13H18N2O2S — CID 166563357

IUPAC8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine
SMILESCc1ccc(C(C)(C)C)c2ncc(S(C)(=O)=O)n12
InChIInChI=1S/C13H18N2O2S/c1-9-6-7-10(13(2,3)4)12-14-8-11(15(9)12)18(5,16)17/h6-8H,1-5H3
InChIKeyNVFKKTPJIQGKCT-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.34
Rot. Bonds1

About 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine

8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine (PubChem CID 166563357) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine
PubChem CID166563357
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine
SMILESCc1ccc(C(C)(C)C)c2ncc(S(C)(=O)=O)n12
InChIInChI=1S/C13H18N2O2S/c1-9-6-7-10(13(2,3)4)12-14-8-11(15(9)12)18(5,16)17/h6-8H,1-5H3
InChIKeyNVFKKTPJIQGKCT-UHFFFAOYSA-N
XLogP2.34
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine?
The IUPAC name of 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine (CID 166563357) is 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine is Cc1ccc(C(C)(C)C)c2ncc(S(C)(=O)=O)n12.
What is the InChIKey of 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine?
The InChIKey is NVFKKTPJIQGKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-6-7-10(13(2,3)4)12-14-8-11(15(9)12)18(5,16)17/h6-8H,1-5H3.
What are the key properties of 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine?
8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine has a molecular weight of 266.37 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5-methyl-3-methylsulfonylimidazo[1,2-a]pyridine is sourced from PubChem (CID 166563357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).