1-(thiophen-2-ylmethyl)piperazine-2,6-dione

C9H10N2O2S — CID 66061669

IUPAC1-(thiophen-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1Cc1cccs1
InChIInChI=1S/C9H10N2O2S/c12-8-4-10-5-9(13)11(8)6-7-2-1-3-14-7/h1-3,10H,4-6H2
InChIKeyYXHIGZLFAAJESM-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.21
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)piperazine-2,6-dione

1-(thiophen-2-ylmethyl)piperazine-2,6-dione (PubChem CID 66061669) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)piperazine-2,6-dione
PubChem CID66061669
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-(thiophen-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1Cc1cccs1
InChIInChI=1S/C9H10N2O2S/c12-8-4-10-5-9(13)11(8)6-7-2-1-3-14-7/h1-3,10H,4-6H2
InChIKeyYXHIGZLFAAJESM-UHFFFAOYSA-N
XLogP0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(thiophen-2-ylmethyl)piperazine-2,6-dione 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-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 1-(thiophen-2-ylmethyl)piperazine-2,6-dione (CID 66061669) is 1-(thiophen-2-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 1-(thiophen-2-ylmethyl)piperazine-2,6-dione is O=C1CNCC(=O)N1Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)piperazine-2,6-dione?
The InChIKey is YXHIGZLFAAJESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-8-4-10-5-9(13)11(8)6-7-2-1-3-14-7/h1-3,10H,4-6H2.
What are the key properties of 1-(thiophen-2-ylmethyl)piperazine-2,6-dione?
1-(thiophen-2-ylmethyl)piperazine-2,6-dione has a molecular weight of 210.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 66061669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).