(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane

C15H17NO2S — CID 143672120

IUPAC(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane
SMILESC=C/C=c1/cc2c(n/c1=C/C=C)S(=O)(=O)C=C2.CC
InChIInChI=1S/C13H11NO2S.C2H6/c1-3-5-10-9-11-7-8-17(15,16)13(11)14-12(10)6-4-2;1-2/h3-9H,1-2H2;1-2H3/b10-5-,12-6+;
InChIKeyBLLMMCSNVNVOFN-DHSLYMPJSA-N
MW275.37 g/mol
LogP1.80
Rot. Bonds2

About (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane

(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane (PubChem CID 143672120) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane.

Molecular Properties

Compound Name(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane
PubChem CID143672120
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane
SMILESC=C/C=c1/cc2c(n/c1=C/C=C)S(=O)(=O)C=C2.CC
InChIInChI=1S/C13H11NO2S.C2H6/c1-3-5-10-9-11-7-8-17(15,16)13(11)14-12(10)6-4-2;1-2/h3-9H,1-2H2;1-2H3/b10-5-,12-6+;
InChIKeyBLLMMCSNVNVOFN-DHSLYMPJSA-N
XLogP1.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-[(Z,2E)-1-(5,6-dihydro-1,3-benzothiazol-2-yl)-2-ethylidenepent-3-enylidene]amino] methanesulfonate
CID 144520992
(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine
CID 142246195
(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide
CID 143672121

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane?
The IUPAC name of (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane (CID 143672120) is (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane.
What is the SMILES notation for (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane?
The canonical SMILES for (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane is C=C/C=c1/cc2c(n/c1=C/C=C)S(=O)(=O)C=C2.CC.
What is the InChIKey of (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane?
The InChIKey is BLLMMCSNVNVOFN-DHSLYMPJSA-N. The full InChI is InChI=1S/C13H11NO2S.C2H6/c1-3-5-10-9-11-7-8-17(15,16)13(11)14-12(10)6-4-2;1-2/h3-9H,1-2H2;1-2H3/b10-5-,12-6+;.
What are the key properties of (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane?
(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane has a molecular weight of 275.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane is sourced from PubChem (CID 143672120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).