2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone

C18H20N4O2S2 — CID 647080

IUPAC2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccccn1)N1CCN(C(=O)CSc2ccccn2)CC1
InChIInChI=1S/C18H20N4O2S2/c23-17(13-25-15-5-1-3-7-19-15)21-9-11-22(12-10-21)18(24)14-26-16-6-2-4-8-20-16/h1-8H,9-14H2
InChIKeyBDCADCJAKVJFDG-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.03
Rot. Bonds6

About 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone

2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone (PubChem CID 647080) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
PubChem CID647080
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccccn1)N1CCN(C(=O)CSc2ccccn2)CC1
InChIInChI=1S/C18H20N4O2S2/c23-17(13-25-15-5-1-3-7-19-15)21-9-11-22(12-10-21)18(24)14-26-16-6-2-4-8-20-16/h1-8H,9-14H2
InChIKeyBDCADCJAKVJFDG-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(Azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
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2-(4-Morpholinyl)-2-oxoethyl 2-pyridinyl sulfide
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1-[(Pyridin-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
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1-[[2-(2-Pyridylthio)ethoxy]methyl]-6-(2-pyridylthio)thymine
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1-(4-Chlorophenyl)-4-[(2-pyridinylthio)acetyl]piperazine
CID 977376
2-({3-[(1-Oxido-2-pyridiniumyl)sulfanyl]-2-oxopropyl}sulfanyl)-1-pyridiniumolate
CID 3778038
N-methyl-N-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16325496
N-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-propan-2-ylacetamide
CID 16328616
2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733
N-cyclohexyl-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341542

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone (CID 647080) is 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone is O=C(CSc1ccccn1)N1CCN(C(=O)CSc2ccccn2)CC1.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone?
The InChIKey is BDCADCJAKVJFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-17(13-25-15-5-1-3-7-19-15)21-9-11-22(12-10-21)18(24)14-26-16-6-2-4-8-20-16/h1-8H,9-14H2.
What are the key properties of 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone?
2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone has a molecular weight of 388.52 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-1-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 647080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).