2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide

C14H18N2O3S — CID 117136792

IUPAC2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
SMILESCOc1cccn2cc(CC3CCCCS3(=O)=O)nc12
InChIInChI=1S/C14H18N2O3S/c1-19-13-6-4-7-16-10-11(15-14(13)16)9-12-5-2-3-8-20(12,17)18/h4,6-7,10,12H,2-3,5,8-9H2,1H3
InChIKeyBITKCGVXACDUKS-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.85
Rot. Bonds3

About 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide

2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (PubChem CID 117136792) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
PubChem CID117136792
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
SMILESCOc1cccn2cc(CC3CCCCS3(=O)=O)nc12
InChIInChI=1S/C14H18N2O3S/c1-19-13-6-4-7-16-10-11(15-14(13)16)9-12-5-2-3-8-20(12,17)18/h4,6-7,10,12H,2-3,5,8-9H2,1H3
InChIKeyBITKCGVXACDUKS-UHFFFAOYSA-N
XLogP1.85
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117136819
8-methoxy-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136142
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117129937
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442
8-methoxy-2-piperidin-2-ylimidazo[1,2-a]pyridine
CID 115038434
2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132170
2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129794
2-[(4-chlorophenyl)methyl]-8-methoxyimidazo[1,2-a]pyridine
CID 117137413
2-[(5-bromo-6-methoxypyridazin-3-yl)methyl]thiane 1,1-dioxide
CID 117106203
2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132118
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117145429
2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157950

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The IUPAC name of 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (CID 117136792) is 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is COc1cccn2cc(CC3CCCCS3(=O)=O)nc12.
What is the InChIKey of 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The InChIKey is BITKCGVXACDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-13-6-4-7-16-10-11(15-14(13)16)9-12-5-2-3-8-20(12,17)18/h4,6-7,10,12H,2-3,5,8-9H2,1H3.
What are the key properties of 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide has a molecular weight of 294.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is sourced from PubChem (CID 117136792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).