3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide

C15H16N2O2S — CID 171974714

IUPAC3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
SMILESO=S1(=O)C2C=C(c3cccc4nccn34)CC1CCC2
InChIInChI=1S/C15H16N2O2S/c18-20(19)12-3-1-4-13(20)10-11(9-12)14-5-2-6-15-16-7-8-17(14)15/h2,5-9,12-13H,1,3-4,10H2
InChIKeyXFWAZKOPDFYLOG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.46
Rot. Bonds1

About 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide

3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide (PubChem CID 171974714) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
PubChem CID171974714
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
SMILESO=S1(=O)C2C=C(c3cccc4nccn34)CC1CCC2
InChIInChI=1S/C15H16N2O2S/c18-20(19)12-3-1-4-13(20)10-11(9-12)14-5-2-6-15-16-7-8-17(14)15/h2,5-9,12-13H,1,3-4,10H2
InChIKeyXFWAZKOPDFYLOG-UHFFFAOYSA-N
XLogP2.46
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide (CID 171974714) is 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide is O=S1(=O)C2C=C(c3cccc4nccn34)CC1CCC2.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The InChIKey is XFWAZKOPDFYLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-20(19)12-3-1-4-13(20)10-11(9-12)14-5-2-6-15-16-7-8-17(14)15/h2,5-9,12-13H,1,3-4,10H2.
What are the key properties of 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide has a molecular weight of 288.37 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-5-yl-9λ6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide is sourced from PubChem (CID 171974714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).