1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone

C17H20N2O2S2 — CID 11530369

IUPAC1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone
SMILESO=C(CS(=O)Cc1ccccc1-c1ccsc1)N1CCNCC1
InChIInChI=1S/C17H20N2O2S2/c20-17(19-8-6-18-7-9-19)13-23(21)12-15-3-1-2-4-16(15)14-5-10-22-11-14/h1-5,10-11,18H,6-9,12-13H2
InChIKeyYBDCEPPLGXSNQL-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.10
Rot. Bonds5

About 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone

1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone (PubChem CID 11530369) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone
PubChem CID11530369
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone
SMILESO=C(CS(=O)Cc1ccccc1-c1ccsc1)N1CCNCC1
InChIInChI=1S/C17H20N2O2S2/c20-17(19-8-6-18-7-9-19)13-23(21)12-15-3-1-2-4-16(15)14-5-10-22-11-14/h1-5,10-11,18H,6-9,12-13H2
InChIKeyYBDCEPPLGXSNQL-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone?
The IUPAC name of 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone (CID 11530369) is 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone is O=C(CS(=O)Cc1ccccc1-c1ccsc1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone?
The InChIKey is YBDCEPPLGXSNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c20-17(19-8-6-18-7-9-19)13-23(21)12-15-3-1-2-4-16(15)14-5-10-22-11-14/h1-5,10-11,18H,6-9,12-13H2.
What are the key properties of 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone?
1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone has a molecular weight of 348.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-[(2-thiophen-3-ylphenyl)methylsulfinyl]ethanone is sourced from PubChem (CID 11530369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).