3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine

C13H16N4O2S — CID 62157168

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine
SMILESNc1nc2ccccn2c1S(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C13H16N4O2S/c14-12-13(16-6-2-1-3-11(16)15-12)20(18,19)17-8-9-4-5-10(17)7-9/h1-3,6,9-10H,4-5,7-8,14H2
InChIKeyWPXWUNNITFAGDG-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.09
Rot. Bonds2

About 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine

3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 62157168) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID62157168
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine
SMILESNc1nc2ccccn2c1S(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C13H16N4O2S/c14-12-13(16-6-2-1-3-11(16)15-12)20(18,19)17-8-9-4-5-10(17)7-9/h1-3,6,9-10H,4-5,7-8,14H2
InChIKeyWPXWUNNITFAGDG-UHFFFAOYSA-N
XLogP1.09
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine (CID 62157168) is 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine is Nc1nc2ccccn2c1S(=O)(=O)N1CC2CCC1C2.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is WPXWUNNITFAGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-12-13(16-6-2-1-3-11(16)15-12)20(18,19)17-8-9-4-5-10(17)7-9/h1-3,6,9-10H,4-5,7-8,14H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine?
3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 292.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 62157168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).