2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine

C18H21N3O3S — CID 117054779

IUPAC2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C18H21N3O3S/c1-15-4-6-16(7-5-15)8-12-25(22,23)21-11-2-3-17(14-21)24-18-13-19-9-10-20-18/h4-10,12-13,17H,2-3,11,14H2,1H3/b12-8+
InChIKeyQPCLFESIMHHUAB-XYOKQWHBSA-N
MW359.45 g/mol
LogP2.63
Rot. Bonds5

About 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine

2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine (PubChem CID 117054779) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
PubChem CID117054779
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C18H21N3O3S/c1-15-4-6-16(7-5-15)8-12-25(22,23)21-11-2-3-17(14-21)24-18-13-19-9-10-20-18/h4-10,12-13,17H,2-3,11,14H2,1H3/b12-8+
InChIKeyQPCLFESIMHHUAB-XYOKQWHBSA-N
XLogP2.63
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine?
The IUPAC name of 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine (CID 117054779) is 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine is Cc1ccc(/C=C/S(=O)(=O)N2CCCC(Oc3cnccn3)C2)cc1.
What is the InChIKey of 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine?
The InChIKey is QPCLFESIMHHUAB-XYOKQWHBSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-15-4-6-16(7-5-15)8-12-25(22,23)21-11-2-3-17(14-21)24-18-13-19-9-10-20-18/h4-10,12-13,17H,2-3,11,14H2,1H3/b12-8+.
What are the key properties of 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine?
2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine has a molecular weight of 359.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine is sourced from PubChem (CID 117054779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).