2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine

C15H18N4O2S — CID 110257451

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
SMILESCS(=O)(=O)N1CCCC(c2cnc(-c3cccnc3)cn2)C1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)19-7-3-5-13(11-19)15-10-17-14(9-18-15)12-4-2-6-16-8-12/h2,4,6,8-10,13H,3,5,7,11H2,1H3
InChIKeyLWLHKAGDKUTLJW-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.68
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine

2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine (PubChem CID 110257451) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
PubChem CID110257451
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
SMILESCS(=O)(=O)N1CCCC(c2cnc(-c3cccnc3)cn2)C1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)19-7-3-5-13(11-19)15-10-17-14(9-18-15)12-4-2-6-16-8-12/h2,4,6,8-10,13H,3,5,7,11H2,1H3
InChIKeyLWLHKAGDKUTLJW-UHFFFAOYSA-N
XLogP1.68
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine (CID 110257451) is 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine is CS(=O)(=O)N1CCCC(c2cnc(-c3cccnc3)cn2)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine?
The InChIKey is LWLHKAGDKUTLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-22(20,21)19-7-3-5-13(11-19)15-10-17-14(9-18-15)12-4-2-6-16-8-12/h2,4,6,8-10,13H,3,5,7,11H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine?
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine has a molecular weight of 318.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine is sourced from PubChem (CID 110257451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).