1-(thiophen-2-ylmethyl)piperazine-2,5-dione

C9H10N2O2S — CID 64873649

IUPAC1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2cccs2)C(=O)CN1
InChIInChI=1S/C9H10N2O2S/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-14-7/h1-3H,4-6H2,(H,10,12)
InChIKeyFNPNZLGTJJQJMD-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.21
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)piperazine-2,5-dione

1-(thiophen-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64873649) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)piperazine-2,5-dione
PubChem CID64873649
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2cccs2)C(=O)CN1
InChIInChI=1S/C9H10N2O2S/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-14-7/h1-3H,4-6H2,(H,10,12)
InChIKeyFNPNZLGTJJQJMD-UHFFFAOYSA-N
XLogP0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-(thiophen-2-ylmethyl)piperazine-2,5-dione (CID 64873649) is 1-(thiophen-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(thiophen-2-ylmethyl)piperazine-2,5-dione is O=C1CN(Cc2cccs2)C(=O)CN1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is FNPNZLGTJJQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-14-7/h1-3H,4-6H2,(H,10,12).
What are the key properties of 1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
1-(thiophen-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 210.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64873649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).