4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile

C14H16N2O3S — CID 75407840

IUPAC4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCOCC2C#N)cc1
InChIInChI=1S/C14H16N2O3S/c1-12-2-4-13(5-3-12)6-9-20(17,18)16-7-8-19-11-14(16)10-15/h2-6,9,14H,7-8,11H2,1H3/b9-6+
InChIKeyIOKGIAWUMGUMQD-RMKNXTFCSA-N
MW292.36 g/mol
LogP1.52
Rot. Bonds3

About 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile

4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile (PubChem CID 75407840) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile
PubChem CID75407840
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCOCC2C#N)cc1
InChIInChI=1S/C14H16N2O3S/c1-12-2-4-13(5-3-12)6-9-20(17,18)16-7-8-19-11-14(16)10-15/h2-6,9,14H,7-8,11H2,1H3/b9-6+
InChIKeyIOKGIAWUMGUMQD-RMKNXTFCSA-N
XLogP1.52
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile?
The IUPAC name of 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile (CID 75407840) is 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile.
What is the SMILES notation for 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile?
The canonical SMILES for 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile is Cc1ccc(/C=C/S(=O)(=O)N2CCOCC2C#N)cc1.
What is the InChIKey of 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile?
The InChIKey is IOKGIAWUMGUMQD-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-12-2-4-13(5-3-12)6-9-20(17,18)16-7-8-19-11-14(16)10-15/h2-6,9,14H,7-8,11H2,1H3/b9-6+.
What are the key properties of 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile?
4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile has a molecular weight of 292.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylmorpholine-3-carbonitrile is sourced from PubChem (CID 75407840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).