3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one

C13H18N4O4S — CID 110098932

IUPAC3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)N1CCC(c2cncc(N3CCOC3=O)n2)CC1
InChIInChI=1S/C13H18N4O4S/c1-22(19,20)16-4-2-10(3-5-16)11-8-14-9-12(15-11)17-6-7-21-13(17)18/h8-10H,2-7H2,1H3
InChIKeyNUQZQCPPGHCJTE-UHFFFAOYSA-N
MW326.38 g/mol
LogP0.57
Rot. Bonds3

About 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one

3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110098932) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110098932
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)N1CCC(c2cncc(N3CCOC3=O)n2)CC1
InChIInChI=1S/C13H18N4O4S/c1-22(19,20)16-4-2-10(3-5-16)11-8-14-9-12(15-11)17-6-7-21-13(17)18/h8-10H,2-7H2,1H3
InChIKeyNUQZQCPPGHCJTE-UHFFFAOYSA-N
XLogP0.57
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110098932) is 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is CS(=O)(=O)N1CCC(c2cncc(N3CCOC3=O)n2)CC1.
What is the InChIKey of 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is NUQZQCPPGHCJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-22(19,20)16-4-2-10(3-5-16)11-8-14-9-12(15-11)17-6-7-21-13(17)18/h8-10H,2-7H2,1H3.
What are the key properties of 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 326.38 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110098932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).