4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide

C13H17N3O2S — CID 117165614

IUPAC4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
SMILESCCc1nc2cccnc2n1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H17N3O2S/c1-2-12-15-11-4-3-7-14-13(11)16(12)10-5-8-19(17,18)9-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyRXFOOLKIVWNDRH-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.74
Rot. Bonds2

About 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide

4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide (PubChem CID 117165614) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
PubChem CID117165614
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
SMILESCCc1nc2cccnc2n1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H17N3O2S/c1-2-12-15-11-4-3-7-14-13(11)16(12)10-5-8-19(17,18)9-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyRXFOOLKIVWNDRH-UHFFFAOYSA-N
XLogP1.74
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 117165589
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294395
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
CID 79474872
2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294728
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
CID 117160904
2-ethyl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165723
4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159283

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide (CID 117165614) is 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide is CCc1nc2cccnc2n1C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
The InChIKey is RXFOOLKIVWNDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-12-15-11-4-3-7-14-13(11)16(12)10-5-8-19(17,18)9-6-10/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide?
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide has a molecular weight of 279.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117165614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).