2-(1-ethylsulfonylpiperidin-4-yl)pyrazine

C11H17N3O2S — CID 95821516

IUPAC2-(1-ethylsulfonylpiperidin-4-yl)pyrazine
SMILESCCS(=O)(=O)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C11H17N3O2S/c1-2-17(15,16)14-7-3-10(4-8-14)11-9-12-5-6-13-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyMQHCEVKKKZRMNG-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.01
Rot. Bonds3

About 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine

2-(1-ethylsulfonylpiperidin-4-yl)pyrazine (PubChem CID 95821516) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine.

Molecular Properties

Compound Name2-(1-ethylsulfonylpiperidin-4-yl)pyrazine
PubChem CID95821516
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(1-ethylsulfonylpiperidin-4-yl)pyrazine
SMILESCCS(=O)(=O)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C11H17N3O2S/c1-2-17(15,16)14-7-3-10(4-8-14)11-9-12-5-6-13-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyMQHCEVKKKZRMNG-UHFFFAOYSA-N
XLogP1.01
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine?
The IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine (CID 95821516) is 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine.
What is the SMILES notation for 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine?
The canonical SMILES for 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine is CCS(=O)(=O)N1CCC(c2cnccn2)CC1.
What is the InChIKey of 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine?
The InChIKey is MQHCEVKKKZRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-17(15,16)14-7-3-10(4-8-14)11-9-12-5-6-13-11/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine?
2-(1-ethylsulfonylpiperidin-4-yl)pyrazine has a molecular weight of 255.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpiperidin-4-yl)pyrazine is sourced from PubChem (CID 95821516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).