2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide

C13H17N5OS2 — CID 16751559

IUPAC2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide
SMILESCSc1nc(N2CCCCC2)nc(SCC(N)=O)c1C#N
InChIInChI=1S/C13H17N5OS2/c1-20-11-9(7-14)12(21-8-10(15)19)17-13(16-11)18-5-3-2-4-6-18/h2-6,8H2,1H3,(H2,15,19)
InChIKeyJSMPBIORYJYVRX-UHFFFAOYSA-N
MW323.45 g/mol
LogP1.64
Rot. Bonds5

About 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide

2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 16751559) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide
PubChem CID16751559
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide
SMILESCSc1nc(N2CCCCC2)nc(SCC(N)=O)c1C#N
InChIInChI=1S/C13H17N5OS2/c1-20-11-9(7-14)12(21-8-10(15)19)17-13(16-11)18-5-3-2-4-6-18/h2-6,8H2,1H3,(H2,15,19)
InChIKeyJSMPBIORYJYVRX-UHFFFAOYSA-N
XLogP1.64
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide (CID 16751559) is 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide is CSc1nc(N2CCCCC2)nc(SCC(N)=O)c1C#N.
What is the InChIKey of 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is JSMPBIORYJYVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-20-11-9(7-14)12(21-8-10(15)19)17-13(16-11)18-5-3-2-4-6-18/h2-6,8H2,1H3,(H2,15,19).
What are the key properties of 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide?
2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 323.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-6-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 16751559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).