2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine

C17H21N3O3S — CID 68892366

IUPAC2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cnc(COC3CCNCC3)cn2)cc1
InChIInChI=1S/C17H21N3O3S/c1-24(21,22)16-4-2-13(3-5-16)17-11-19-14(10-20-17)12-23-15-6-8-18-9-7-15/h2-5,10-11,15,18H,6-9,12H2,1H3
InChIKeyMNCRMCMQSLHSJI-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine

2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine (PubChem CID 68892366) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine
PubChem CID68892366
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cnc(COC3CCNCC3)cn2)cc1
InChIInChI=1S/C17H21N3O3S/c1-24(21,22)16-4-2-13(3-5-16)17-11-19-14(10-20-17)12-23-15-6-8-18-9-7-15/h2-5,10-11,15,18H,6-9,12H2,1H3
InChIKeyMNCRMCMQSLHSJI-UHFFFAOYSA-N
XLogP1.82
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine (CID 68892366) is 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine is CS(=O)(=O)c1ccc(-c2cnc(COC3CCNCC3)cn2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine?
The InChIKey is MNCRMCMQSLHSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24(21,22)16-4-2-13(3-5-16)17-11-19-14(10-20-17)12-23-15-6-8-18-9-7-15/h2-5,10-11,15,18H,6-9,12H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine?
2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine has a molecular weight of 347.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine is sourced from PubChem (CID 68892366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).