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

C11H13ClN2OS2 — CID 71756201

IUPACpiperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc2sccc2s1)N1CCNCC1
InChIInChI=1S/C11H12N2OS2.ClH/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;1H
InChIKeyDFKJHXHFZCTSRK-UHFFFAOYSA-N
MW288.82 g/mol
LogP2.43
Rot. Bonds1

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

piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride (PubChem CID 71756201) has the molecular formula C11H13ClN2OS2 and a molecular weight of 288.82 g/mol. Its IUPAC name is piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride
PubChem CID71756201
Molecular FormulaC11H13ClN2OS2
Molecular Weight288.82 g/mol
Exact Mass288.02
IUPAC Namepiperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc2sccc2s1)N1CCNCC1
InChIInChI=1S/C11H12N2OS2.ClH/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;1H
InChIKeyDFKJHXHFZCTSRK-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 52.43
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;hydrochloride?
The IUPAC name of piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride (CID 71756201) is piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride.
What is the SMILES notation for piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride?
The canonical SMILES for piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride is Cl.O=C(c1cc2sccc2s1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride?
The InChIKey is DFKJHXHFZCTSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2.ClH/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;1H.
What are the key properties of piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride?
piperazin-1-yl(thieno[3,2-b]thiophen-5-yl)methanone;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 2.43, 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;hydrochloride is sourced from PubChem (CID 71756201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).