2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine

C15H21N5O3S — CID 164609251

IUPAC2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C15H21N5O3S/c1-11-15(12(2)19(3)18-11)24(21,22)20-8-4-13(5-9-20)23-14-10-16-6-7-17-14/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyOWYGQOUBUUTDJV-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.06
Rot. Bonds4

About 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine

2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine (PubChem CID 164609251) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine
PubChem CID164609251
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C15H21N5O3S/c1-11-15(12(2)19(3)18-11)24(21,22)20-8-4-13(5-9-20)23-14-10-16-6-7-17-14/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyOWYGQOUBUUTDJV-UHFFFAOYSA-N
XLogP1.06
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine?
The IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine (CID 164609251) is 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine?
The InChIKey is OWYGQOUBUUTDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-11-15(12(2)19(3)18-11)24(21,22)20-8-4-13(5-9-20)23-14-10-16-6-7-17-14/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine?
2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine has a molecular weight of 351.43 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyrazine is sourced from PubChem (CID 164609251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).