2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine

C17H16N2O3S2 — CID 167576117

IUPAC2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
SMILESC[C@@H](Oc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1
InChIInChI=1S/C17H16N2O3S2/c1-12(16-4-3-9-23-16)22-17-11-18-10-15(19-17)13-5-7-14(8-6-13)24(2,20)21/h3-12H,1-2H3/t12-/m1/s1
InChIKeyCXZHWSWRZYHOQR-GFCCVEGCSA-N
MW360.46 g/mol
LogP3.75
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine

2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine (PubChem CID 167576117) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
PubChem CID167576117
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
SMILESC[C@@H](Oc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1
InChIInChI=1S/C17H16N2O3S2/c1-12(16-4-3-9-23-16)22-17-11-18-10-15(19-17)13-5-7-14(8-6-13)24(2,20)21/h3-12H,1-2H3/t12-/m1/s1
InChIKeyCXZHWSWRZYHOQR-GFCCVEGCSA-N
XLogP3.75
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
CID 167559020
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
CID 167564562
2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 163629142
6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
CID 167562711
(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9246541
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3686493
3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 167581803
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652676

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine (CID 167576117) is 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine is C[C@@H](Oc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine?
The InChIKey is CXZHWSWRZYHOQR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-12(16-4-3-9-23-16)22-17-11-18-10-15(19-17)13-5-7-14(8-6-13)24(2,20)21/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of 2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine?
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine has a molecular weight of 360.46 g/mol, XLogP of 3.75, 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-[(1R)-1-thiophen-2-ylethoxy]pyrazine is sourced from PubChem (CID 167576117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).