2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine

C12H19N3O3S — CID 90559116

IUPAC2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
SMILESCCCS(=O)(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C12H19N3O3S/c1-2-9-19(16,17)15-7-3-11(4-8-15)18-12-10-13-5-6-14-12/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyONEJQSGWGODWHD-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.06
Rot. Bonds5

About 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine

2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine (PubChem CID 90559116) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine.

Molecular Properties

Compound Name2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
PubChem CID90559116
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
SMILESCCCS(=O)(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C12H19N3O3S/c1-2-9-19(16,17)15-7-3-11(4-8-15)18-12-10-13-5-6-14-12/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyONEJQSGWGODWHD-UHFFFAOYSA-N
XLogP1.06
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine?
The IUPAC name of 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine (CID 90559116) is 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine.
What is the SMILES notation for 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine?
The canonical SMILES for 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine is CCCS(=O)(=O)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine?
The InChIKey is ONEJQSGWGODWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-9-19(16,17)15-7-3-11(4-8-15)18-12-10-13-5-6-14-12/h5-6,10-11H,2-4,7-9H2,1H3.
What are the key properties of 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine?
2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine has a molecular weight of 285.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine is sourced from PubChem (CID 90559116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).