N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide

C13H20N4OS — CID 95968662

IUPACN-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide
SMILESCCN1CCC(NC(=O)CSc2cnccn2)CC1
InChIInChI=1S/C13H20N4OS/c1-2-17-7-3-11(4-8-17)16-12(18)10-19-13-9-14-5-6-15-13/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyZNGQVWPSFKGQTP-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.17
Rot. Bonds5

About N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide

N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide (PubChem CID 95968662) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide
PubChem CID95968662
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide
SMILESCCN1CCC(NC(=O)CSc2cnccn2)CC1
InChIInChI=1S/C13H20N4OS/c1-2-17-7-3-11(4-8-17)16-12(18)10-19-13-9-14-5-6-15-13/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyZNGQVWPSFKGQTP-UHFFFAOYSA-N
XLogP1.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide (CID 95968662) is N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide is CCN1CCC(NC(=O)CSc2cnccn2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide?
The InChIKey is ZNGQVWPSFKGQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-2-17-7-3-11(4-8-17)16-12(18)10-19-13-9-14-5-6-15-13/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide?
N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide has a molecular weight of 280.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-pyrazin-2-ylsulfanylacetamide is sourced from PubChem (CID 95968662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).