2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide

C13H15ClN2O2S — CID 117132170

IUPAC2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1Cc1cn2c(Cl)cccc2n1
InChIInChI=1S/C13H15ClN2O2S/c14-12-5-3-6-13-15-10(9-16(12)13)8-11-4-1-2-7-19(11,17)18/h3,5-6,9,11H,1-2,4,7-8H2
InChIKeySHNZVZGQDJBFSH-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.50
Rot. Bonds2

About 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide

2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (PubChem CID 117132170) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
PubChem CID117132170
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1Cc1cn2c(Cl)cccc2n1
InChIInChI=1S/C13H15ClN2O2S/c14-12-5-3-6-13-15-10(9-16(12)13)8-11-4-1-2-7-19(11,17)18/h3,5-6,9,11H,1-2,4,7-8H2
InChIKeySHNZVZGQDJBFSH-UHFFFAOYSA-N
XLogP2.50
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117129937
5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132317
2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129794
5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132335
2-(bromomethyl)-5-chloroimidazo[1,2-a]pyridine;hydrobromide
CID 137347572
2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132118
2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117136819
2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117136792
2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157950
1-(5-chloroimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 137347473
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117131388
5-chloro-3-[(1,1-dioxothian-2-yl)methyl]-1H-pyridazin-6-one
CID 117106110

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The IUPAC name of 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (CID 117132170) is 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is O=S1(=O)CCCCC1Cc1cn2c(Cl)cccc2n1.
What is the InChIKey of 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The InChIKey is SHNZVZGQDJBFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-12-5-3-6-13-15-10(9-16(12)13)8-11-4-1-2-7-19(11,17)18/h3,5-6,9,11H,1-2,4,7-8H2.
What are the key properties of 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide has a molecular weight of 298.79 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is sourced from PubChem (CID 117132170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).