1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride

C9H13ClN2OS — CID 67085313

IUPAC1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride
SMILESCc1ccc(N2CCNCC2=O)s1.Cl
InChIInChI=1S/C9H12N2OS.ClH/c1-7-2-3-9(13-7)11-5-4-10-6-8(11)12;/h2-3,10H,4-6H2,1H3;1H
InChIKeyWKZKBYIZTLFSEY-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.41
Rot. Bonds1

About 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride

1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride (PubChem CID 67085313) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride
PubChem CID67085313
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride
SMILESCc1ccc(N2CCNCC2=O)s1.Cl
InChIInChI=1S/C9H12N2OS.ClH/c1-7-2-3-9(13-7)11-5-4-10-6-8(11)12;/h2-3,10H,4-6H2,1H3;1H
InChIKeyWKZKBYIZTLFSEY-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride (CID 67085313) is 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride is Cc1ccc(N2CCNCC2=O)s1.Cl.
What is the InChIKey of 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride?
The InChIKey is WKZKBYIZTLFSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS.ClH/c1-7-2-3-9(13-7)11-5-4-10-6-8(11)12;/h2-3,10H,4-6H2,1H3;1H.
What are the key properties of 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride?
1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride has a molecular weight of 232.74 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 67085313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).