4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione

C10H10N2O3S — CID 66085882

IUPAC4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)Cc2ccsc2)CC(=O)N1
InChIInChI=1S/C10H10N2O3S/c13-8-4-12(5-9(14)11-8)10(15)3-7-1-2-16-6-7/h1-2,6H,3-5H2,(H,11,13,14)
InChIKeyNUWNDHRSVDXXPN-UHFFFAOYSA-N
MW238.27 g/mol
LogP-0.22
Rot. Bonds2

About 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione

4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione (PubChem CID 66085882) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione
PubChem CID66085882
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)Cc2ccsc2)CC(=O)N1
InChIInChI=1S/C10H10N2O3S/c13-8-4-12(5-9(14)11-8)10(15)3-7-1-2-16-6-7/h1-2,6H,3-5H2,(H,11,13,14)
InChIKeyNUWNDHRSVDXXPN-UHFFFAOYSA-N
XLogP-0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione (CID 66085882) is 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione is O=C1CN(C(=O)Cc2ccsc2)CC(=O)N1.
What is the InChIKey of 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione?
The InChIKey is NUWNDHRSVDXXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-8-4-12(5-9(14)11-8)10(15)3-7-1-2-16-6-7/h1-2,6H,3-5H2,(H,11,13,14).
What are the key properties of 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione?
4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione has a molecular weight of 238.27 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione is sourced from PubChem (CID 66085882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).