(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine

C12H15NO2S — CID 142246195

IUPAC(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine
SMILESC=c1cc(CS(C)(=O)=O)cn/c1=C/C=C\C
InChIInChI=1S/C12H15NO2S/c1-4-5-6-12-10(2)7-11(8-13-12)9-16(3,14)15/h4-8H,2,9H2,1,3H3/b5-4-,12-6+
InChIKeyYQPQVGZAZLJWSV-QENXGIAESA-N
MW237.32 g/mol
LogP0.39
Rot. Bonds3

About (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine

(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine (PubChem CID 142246195) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine
PubChem CID142246195
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine
SMILESC=c1cc(CS(C)(=O)=O)cn/c1=C/C=C\C
InChIInChI=1S/C12H15NO2S/c1-4-5-6-12-10(2)7-11(8-13-12)9-16(3,14)15/h4-8H,2,9H2,1,3H3/b5-4-,12-6+
InChIKeyYQPQVGZAZLJWSV-QENXGIAESA-N
XLogP0.39
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrolobenzo[b]thiophene-1,1-dioxide
CID 129857953
3lambda6-Thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide
CID 90929948
(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide
CID 129043365
(5Z,6E)-5,6-bis(prop-2-enylidene)thieno[2,3-b]pyridine 1,1-dioxide;ethane
CID 143672120
6-Ethyl-3-methylsulfonyl-3,4-dihydropyridine
CID 163689115
3,7-dimethyl-7-methylsulfonyl-2H-azocine
CID 163703497
(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 (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine (CID 142246195) is (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine is C=c1cc(CS(C)(=O)=O)cn/c1=C/C=C\C.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine?
The InChIKey is YQPQVGZAZLJWSV-QENXGIAESA-N. The full InChI is InChI=1S/C12H15NO2S/c1-4-5-6-12-10(2)7-11(8-13-12)9-16(3,14)15/h4-8H,2,9H2,1,3H3/b5-4-,12-6+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine?
(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine has a molecular weight of 237.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 142246195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).