3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile

C14H16N6S2 — CID 66835395

IUPAC3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile
SMILESN#Cc1nc(N2CCSCC2)c(C#N)nc1N1CCSCC1
InChIInChI=1S/C14H16N6S2/c15-9-11-13(19-1-5-21-6-2-19)17-12(10-16)14(18-11)20-3-7-22-8-4-20/h1-8H2
InChIKeyYCRYUHQVSIXRCX-UHFFFAOYSA-N
MW332.46 g/mol
LogP1.33
Rot. Bonds2

About 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile

3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile (PubChem CID 66835395) has the molecular formula C14H16N6S2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile
PubChem CID66835395
Molecular FormulaC14H16N6S2
Molecular Weight332.46 g/mol
Exact Mass332.09
IUPAC Name3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile
SMILESN#Cc1nc(N2CCSCC2)c(C#N)nc1N1CCSCC1
InChIInChI=1S/C14H16N6S2/c15-9-11-13(19-1-5-21-6-2-19)17-12(10-16)14(18-11)20-3-7-22-8-4-20/h1-8H2
InChIKeyYCRYUHQVSIXRCX-UHFFFAOYSA-N
XLogP1.33
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile?
The IUPAC name of 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile (CID 66835395) is 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile is N#Cc1nc(N2CCSCC2)c(C#N)nc1N1CCSCC1.
What is the InChIKey of 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile?
The InChIKey is YCRYUHQVSIXRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S2/c15-9-11-13(19-1-5-21-6-2-19)17-12(10-16)14(18-11)20-3-7-22-8-4-20/h1-8H2.
What are the key properties of 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile?
3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile has a molecular weight of 332.46 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dithiomorpholin-4-ylpyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 66835395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).