1-thiophen-3-ylpiperazin-2-one;hydrochloride

C8H11ClN2OS — CID 67085002

IUPAC1-thiophen-3-ylpiperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1c1ccsc1
InChIInChI=1S/C8H10N2OS.ClH/c11-8-5-9-2-3-10(8)7-1-4-12-6-7;/h1,4,6,9H,2-3,5H2;1H
InChIKeyJQADFYGZJYRFNG-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.11
Rot. Bonds1

About 1-thiophen-3-ylpiperazin-2-one;hydrochloride

1-thiophen-3-ylpiperazin-2-one;hydrochloride (PubChem CID 67085002) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 1-thiophen-3-ylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-thiophen-3-ylpiperazin-2-one;hydrochloride
PubChem CID67085002
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name1-thiophen-3-ylpiperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1c1ccsc1
InChIInChI=1S/C8H10N2OS.ClH/c11-8-5-9-2-3-10(8)7-1-4-12-6-7;/h1,4,6,9H,2-3,5H2;1H
InChIKeyJQADFYGZJYRFNG-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

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpiperazin-2-one;hydrochloride?
The IUPAC name of 1-thiophen-3-ylpiperazin-2-one;hydrochloride (CID 67085002) is 1-thiophen-3-ylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 1-thiophen-3-ylpiperazin-2-one;hydrochloride?
The canonical SMILES for 1-thiophen-3-ylpiperazin-2-one;hydrochloride is Cl.O=C1CNCCN1c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylpiperazin-2-one;hydrochloride?
The InChIKey is JQADFYGZJYRFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS.ClH/c11-8-5-9-2-3-10(8)7-1-4-12-6-7;/h1,4,6,9H,2-3,5H2;1H.
What are the key properties of 1-thiophen-3-ylpiperazin-2-one;hydrochloride?
1-thiophen-3-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-3-ylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 67085002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).