2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide

C11H16N4OS — CID 114628128

IUPAC2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide
SMILESO=C(CSC1CCNCC1)Nc1cccnn1
InChIInChI=1S/C11H16N4OS/c16-11(14-10-2-1-5-13-15-10)8-17-9-3-6-12-7-4-9/h1-2,5,9,12H,3-4,6-8H2,(H,14,15,16)
InChIKeyKLPOIHAJKDMLOO-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.90
Rot. Bonds4

About 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide

2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide (PubChem CID 114628128) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide
PubChem CID114628128
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide
SMILESO=C(CSC1CCNCC1)Nc1cccnn1
InChIInChI=1S/C11H16N4OS/c16-11(14-10-2-1-5-13-15-10)8-17-9-3-6-12-7-4-9/h1-2,5,9,12H,3-4,6-8H2,(H,14,15,16)
InChIKeyKLPOIHAJKDMLOO-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

2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide
CID 114626669
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626846
N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626808
N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114052324
N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627759
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
CID 114626484
N-(2-chloro-6-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628124
methyl 2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzoate
CID 114626637
N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626532
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide?
The IUPAC name of 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide (CID 114628128) is 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide is O=C(CSC1CCNCC1)Nc1cccnn1.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide?
The InChIKey is KLPOIHAJKDMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-11(14-10-2-1-5-13-15-10)8-17-9-3-6-12-7-4-9/h1-2,5,9,12H,3-4,6-8H2,(H,14,15,16).
What are the key properties of 2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide?
2-piperidin-4-ylsulfanyl-N-pyridazin-3-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-pyridazin-3-ylacetamide is sourced from PubChem (CID 114628128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).