2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine

C17H18N2O2S2 — CID 156650528

IUPAC2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(/C=C\C3CCCS3)n2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-23(20,21)16-8-4-13(5-9-16)17-12-18-11-14(19-17)6-7-15-3-2-10-22-15/h4-9,11-12,15H,2-3,10H2,1H3/b7-6-
InChIKeyQEKXZWNJTCRXRQ-SREVYHEPSA-N
MW346.48 g/mol
LogP3.46
Rot. Bonds4

About 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine

2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine (PubChem CID 156650528) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine
PubChem CID156650528
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(/C=C\C3CCCS3)n2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-23(20,21)16-8-4-13(5-9-16)17-12-18-11-14(19-17)6-7-15-3-2-10-22-15/h4-9,11-12,15H,2-3,10H2,1H3/b7-6-
InChIKeyQEKXZWNJTCRXRQ-SREVYHEPSA-N
XLogP3.46
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine (CID 156650528) is 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine is CS(=O)(=O)c1ccc(-c2cncc(/C=C\C3CCCS3)n2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine?
The InChIKey is QEKXZWNJTCRXRQ-SREVYHEPSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-23(20,21)16-8-4-13(5-9-16)17-12-18-11-14(19-17)6-7-15-3-2-10-22-15/h4-9,11-12,15H,2-3,10H2,1H3/b7-6-.
What are the key properties of 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine?
2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine has a molecular weight of 346.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine is sourced from PubChem (CID 156650528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).