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

C13H11NO2S — CID 143672121

IUPAC(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide
SMILESC=C/C=c1/cc2c(n/c1=C/C=C)S(=O)(=O)C=C2
InChIInChI=1S/C13H11NO2S/c1-3-5-10-9-11-7-8-17(15,16)13(11)14-12(10)6-4-2/h3-9H,1-2H2/b10-5-,12-6+
InChIKeyGJZAOKVCQPAROR-QKHYZZJUSA-N
MW245.30 g/mol
LogP0.77
Rot. Bonds2

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

(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide (PubChem CID 143672121) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide.

Molecular Properties

Compound Name(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide
PubChem CID143672121
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide
SMILESC=C/C=c1/cc2c(n/c1=C/C=C)S(=O)(=O)C=C2
InChIInChI=1S/C13H11NO2S/c1-3-5-10-9-11-7-8-17(15,16)13(11)14-12(10)6-4-2/h3-9H,1-2H2/b10-5-,12-6+
InChIKeyGJZAOKVCQPAROR-QKHYZZJUSA-N
XLogP0.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane
CID 143672120
(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine
CID 142246195

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?
The IUPAC name of (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide (CID 143672121) is (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide.
What is the SMILES notation for (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide?
The canonical SMILES for (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide is C=C/C=c1/cc2c(n/c1=C/C=C)S(=O)(=O)C=C2.
What is the InChIKey of (5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide?
The InChIKey is GJZAOKVCQPAROR-QKHYZZJUSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-3-5-10-9-11-7-8-17(15,16)13(11)14-12(10)6-4-2/h3-9H,1-2H2/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?
(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide has a molecular weight of 245.30 g/mol, XLogP of 0.77, 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 is sourced from PubChem (CID 143672121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).