piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone

C11H12N2OS2 — CID 71756202

IUPACpiperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2sccc2s1)N1CCNCC1
InChIInChI=1S/C11H12N2OS2/c14-11(13-4-2-12-3-5-13)10-7-9-8(16-10)1-6-15-9/h1,6-7,12H,2-5H2
InChIKeyWIHRZDCWPDXVNU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.01
Rot. Bonds1

About piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone

piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone (PubChem CID 71756202) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone
PubChem CID71756202
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Namepiperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone
SMILESO=C(c1cc2sccc2s1)N1CCNCC1
InChIInChI=1S/C11H12N2OS2/c14-11(13-4-2-12-3-5-13)10-7-9-8(16-10)1-6-15-9/h1,6-7,12H,2-5H2
InChIKeyWIHRZDCWPDXVNU-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The IUPAC name of piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone (CID 71756202) is piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone.
What is the SMILES notation for piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The canonical SMILES for piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone is O=C(c1cc2sccc2s1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone?
The InChIKey is WIHRZDCWPDXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c14-11(13-4-2-12-3-5-13)10-7-9-8(16-10)1-6-15-9/h1,6-7,12H,2-5H2.
What are the key properties of piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone?
piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone is sourced from PubChem (CID 71756202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).