1-thiophen-2-ylpiperazin-2-one;hydrochloride

C8H11ClN2OS — CID 67084868

IUPAC1-thiophen-2-ylpiperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1c1cccs1
InChIInChI=1S/C8H10N2OS.ClH/c11-7-6-9-3-4-10(7)8-2-1-5-12-8;/h1-2,5,9H,3-4,6H2;1H
InChIKeyVJAHBKGOVLKMCG-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.11
Rot. Bonds1

About 1-thiophen-2-ylpiperazin-2-one;hydrochloride

1-thiophen-2-ylpiperazin-2-one;hydrochloride (PubChem CID 67084868) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 1-thiophen-2-ylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-thiophen-2-ylpiperazin-2-one;hydrochloride
PubChem CID67084868
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name1-thiophen-2-ylpiperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1c1cccs1
InChIInChI=1S/C8H10N2OS.ClH/c11-7-6-9-3-4-10(7)8-2-1-5-12-8;/h1-2,5,9H,3-4,6H2;1H
InChIKeyVJAHBKGOVLKMCG-UHFFFAOYSA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-thiophen-2-ylpiperazin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylpiperazin-2-one;hydrochloride?
The IUPAC name of 1-thiophen-2-ylpiperazin-2-one;hydrochloride (CID 67084868) is 1-thiophen-2-ylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 1-thiophen-2-ylpiperazin-2-one;hydrochloride?
The canonical SMILES for 1-thiophen-2-ylpiperazin-2-one;hydrochloride is Cl.O=C1CNCCN1c1cccs1.
What is the InChIKey of 1-thiophen-2-ylpiperazin-2-one;hydrochloride?
The InChIKey is VJAHBKGOVLKMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS.ClH/c11-7-6-9-3-4-10(7)8-2-1-5-12-8;/h1-2,5,9H,3-4,6H2;1H.
What are the key properties of 1-thiophen-2-ylpiperazin-2-one;hydrochloride?
1-thiophen-2-ylpiperazin-2-one;hydrochloride has a molecular weight of 218.71 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 67084868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).