2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine

C11H18N4O2S — CID 47020626

IUPAC2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine
SMILESCS(=O)(=O)CCN1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H18N4O2S/c1-18(16,17)9-8-14-4-6-15(7-5-14)11-10-12-2-3-13-11/h2-3,10H,4-9H2,1H3
InChIKeyJHPSEGYHRAOSIS-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.36
Rot. Bonds4

About 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine

2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine (PubChem CID 47020626) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine
PubChem CID47020626
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine
SMILESCS(=O)(=O)CCN1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H18N4O2S/c1-18(16,17)9-8-14-4-6-15(7-5-14)11-10-12-2-3-13-11/h2-3,10H,4-9H2,1H3
InChIKeyJHPSEGYHRAOSIS-UHFFFAOYSA-N
XLogP-0.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine (CID 47020626) is 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine is CS(=O)(=O)CCN1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine?
The InChIKey is JHPSEGYHRAOSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-18(16,17)9-8-14-4-6-15(7-5-14)11-10-12-2-3-13-11/h2-3,10H,4-9H2,1H3.
What are the key properties of 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine?
2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine has a molecular weight of 270.36 g/mol, XLogP of -0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylsulfonylethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 47020626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).