2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine

C16H18N2O4S — CID 163629142

IUPAC2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(OCC3CCCO3)n2)cc1
InChIInChI=1S/C16H18N2O4S/c1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-7,9-10,13H,2-3,8,11H2,1H3
InChIKeyHUOPFLIRTYUORG-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.10
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine

2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine (PubChem CID 163629142) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine
PubChem CID163629142
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(OCC3CCCO3)n2)cc1
InChIInChI=1S/C16H18N2O4S/c1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-7,9-10,13H,2-3,8,11H2,1H3
InChIKeyHUOPFLIRTYUORG-UHFFFAOYSA-N
XLogP2.10
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(chloromethyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 66467570
N-ethyl-6-(oxolan-2-ylmethoxy)pyrazin-2-amine
CID 80860142
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
N-[[6-(oxan-2-ylmethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450584
2-methyl-N-[[6-(oxan-2-ylmethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449796
4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 11176284
CID 156650386
CID 156650386
1-[2-(4-methylsulfonylphenoxy)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95758235
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
CID 167576117
6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide
CID 24702377
N,N-dimethyl-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017281

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine (CID 163629142) is 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine is CS(=O)(=O)c1ccc(-c2cncc(OCC3CCCO3)n2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine?
The InChIKey is HUOPFLIRTYUORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-7,9-10,13H,2-3,8,11H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine?
2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine has a molecular weight of 334.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine is sourced from PubChem (CID 163629142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).