3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile

C13H18N4O3S — CID 91628098

IUPAC3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile
SMILESCC(C)S(=O)(=O)N1CCCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C13H18N4O3S/c1-10(2)21(18,19)17-7-3-4-11(9-17)20-13-12(8-14)15-5-6-16-13/h5-6,10-11H,3-4,7,9H2,1-2H3
InChIKeyCEXBHWSYXNQKJI-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.93
Rot. Bonds4

About 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile

3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile (PubChem CID 91628098) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile
PubChem CID91628098
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile
SMILESCC(C)S(=O)(=O)N1CCCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C13H18N4O3S/c1-10(2)21(18,19)17-7-3-4-11(9-17)20-13-12(8-14)15-5-6-16-13/h5-6,10-11H,3-4,7,9H2,1-2H3
InChIKeyCEXBHWSYXNQKJI-UHFFFAOYSA-N
XLogP0.93
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile?
The IUPAC name of 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile (CID 91628098) is 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile is CC(C)S(=O)(=O)N1CCCC(Oc2nccnc2C#N)C1.
What is the InChIKey of 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile?
The InChIKey is CEXBHWSYXNQKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-10(2)21(18,19)17-7-3-4-11(9-17)20-13-12(8-14)15-5-6-16-13/h5-6,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile?
3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile has a molecular weight of 310.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91628098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).