2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide

C11H16N4OS — CID 114626669

IUPAC2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide
SMILESO=C(CSC1CCNCC1)Nc1cnccn1
InChIInChI=1S/C11H16N4OS/c16-11(15-10-7-13-5-6-14-10)8-17-9-1-3-12-4-2-9/h5-7,9,12H,1-4,8H2,(H,14,15,16)
InChIKeyGGTKFFDJBPHQAP-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.90
Rot. Bonds4

About 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide

2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide (PubChem CID 114626669) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide
PubChem CID114626669
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide
SMILESO=C(CSC1CCNCC1)Nc1cnccn1
InChIInChI=1S/C11H16N4OS/c16-11(15-10-7-13-5-6-14-10)8-17-9-1-3-12-4-2-9/h5-7,9,12H,1-4,8H2,(H,14,15,16)
InChIKeyGGTKFFDJBPHQAP-UHFFFAOYSA-N
XLogP0.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide
CID 114628128
N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627796
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626846
N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114052324
N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114628039
N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627759
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114628101
N-(4-bromo-2,6-dichlorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626544

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide (CID 114626669) is 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide is O=C(CSC1CCNCC1)Nc1cnccn1.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide?
The InChIKey is GGTKFFDJBPHQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-11(15-10-7-13-5-6-14-10)8-17-9-1-3-12-4-2-9/h5-7,9,12H,1-4,8H2,(H,14,15,16).
What are the key properties of 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide?
2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide has a molecular weight of 252.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 114626669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).