1-(1-benzothiophen-5-yl)piperazine-2,5-dione

C12H10N2O2S — CID 65451527

IUPAC1-(1-benzothiophen-5-yl)piperazine-2,5-dione
SMILESO=C1CN(c2ccc3sccc3c2)C(=O)CN1
InChIInChI=1S/C12H10N2O2S/c15-11-7-14(12(16)6-13-11)9-1-2-10-8(5-9)3-4-17-10/h1-5H,6-7H2,(H,13,15)
InChIKeyXJXHQFSXEKMZKX-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.36
Rot. Bonds1

About 1-(1-benzothiophen-5-yl)piperazine-2,5-dione

1-(1-benzothiophen-5-yl)piperazine-2,5-dione (PubChem CID 65451527) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)piperazine-2,5-dione
PubChem CID65451527
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name1-(1-benzothiophen-5-yl)piperazine-2,5-dione
SMILESO=C1CN(c2ccc3sccc3c2)C(=O)CN1
InChIInChI=1S/C12H10N2O2S/c15-11-7-14(12(16)6-13-11)9-1-2-10-8(5-9)3-4-17-10/h1-5H,6-7H2,(H,13,15)
InChIKeyXJXHQFSXEKMZKX-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)piperazine-2,5-dione?
The IUPAC name of 1-(1-benzothiophen-5-yl)piperazine-2,5-dione (CID 65451527) is 1-(1-benzothiophen-5-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(1-benzothiophen-5-yl)piperazine-2,5-dione is O=C1CN(c2ccc3sccc3c2)C(=O)CN1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)piperazine-2,5-dione?
The InChIKey is XJXHQFSXEKMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-11-7-14(12(16)6-13-11)9-1-2-10-8(5-9)3-4-17-10/h1-5H,6-7H2,(H,13,15).
What are the key properties of 1-(1-benzothiophen-5-yl)piperazine-2,5-dione?
1-(1-benzothiophen-5-yl)piperazine-2,5-dione has a molecular weight of 246.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)piperazine-2,5-dione is sourced from PubChem (CID 65451527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).