3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide

C13H16N2O2S — CID 117131388

IUPAC3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
SMILESCc1cccc2nc(CC3CCS(=O)(=O)C3)cn12
InChIInChI=1S/C13H16N2O2S/c1-10-3-2-4-13-14-12(8-15(10)13)7-11-5-6-18(16,17)9-11/h2-4,8,11H,5-7,9H2,1H3
InChIKeyYEECHTNFLOHDGZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.62
Rot. Bonds2

About 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide

3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide (PubChem CID 117131388) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
PubChem CID117131388
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
SMILESCc1cccc2nc(CC3CCS(=O)(=O)C3)cn12
InChIInChI=1S/C13H16N2O2S/c1-10-3-2-4-13-14-12(8-15(10)13)7-11-5-6-18(16,17)9-11/h2-4,8,11H,5-7,9H2,1H3
InChIKeyYEECHTNFLOHDGZ-UHFFFAOYSA-N
XLogP1.62
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117131444
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
5-methyl-2-[(1-methylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117132185
3-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]thiane 1,1-dioxide
CID 117141782
1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 61058402
3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117155262
2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131128
4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117131468
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117153862
2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129225
2-[(1-ethylpiperidin-4-yl)methyl]-5-methoxyimidazo[1,2-a]pyridine
CID 117131475

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide (CID 117131388) is 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide is Cc1cccc2nc(CC3CCS(=O)(=O)C3)cn12.
What is the InChIKey of 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is YEECHTNFLOHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-3-2-4-13-14-12(8-15(10)13)7-11-5-6-18(16,17)9-11/h2-4,8,11H,5-7,9H2,1H3.
What are the key properties of 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 264.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117131388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).