(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone

C15H16N2O3S — CID 171945794

IUPAC(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2nccn2c1)C1CC2CCC(C1)S2(=O)=O
InChIInChI=1S/C15H16N2O3S/c18-15(10-1-4-14-16-5-6-17(14)9-10)11-7-12-2-3-13(8-11)21(12,19)20/h1,4-6,9,11-13H,2-3,7-8H2
InChIKeyHWAWUTDRLCZKFH-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.87
Rot. Bonds2

About (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone

(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 171945794) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID171945794
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2nccn2c1)C1CC2CCC(C1)S2(=O)=O
InChIInChI=1S/C15H16N2O3S/c18-15(10-1-4-14-16-5-6-17(14)9-10)11-7-12-2-3-13(8-11)21(12,19)20/h1,4-6,9,11-13H,2-3,7-8H2
InChIKeyHWAWUTDRLCZKFH-UHFFFAOYSA-N
XLogP1.87
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone (CID 171945794) is (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone is O=C(c1ccc2nccn2c1)C1CC2CCC(C1)S2(=O)=O.
What is the InChIKey of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is HWAWUTDRLCZKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15(10-1-4-14-16-5-6-17(14)9-10)11-7-12-2-3-13(8-11)21(12,19)20/h1,4-6,9,11-13H,2-3,7-8H2.
What are the key properties of (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone?
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 304.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 171945794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).