3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione

C11H18N2O2S — CID 103065086

IUPAC3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C2CCSC2)C1=O
InChIInChI=1S/C11H18N2O2S/c1-2-3-9-11(15)13(6-10(14)12-9)8-4-5-16-7-8/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyBCODGVMOEFGDLD-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.62
Rot. Bonds3

About 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione

3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione (PubChem CID 103065086) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione
PubChem CID103065086
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C2CCSC2)C1=O
InChIInChI=1S/C11H18N2O2S/c1-2-3-9-11(15)13(6-10(14)12-9)8-4-5-16-7-8/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyBCODGVMOEFGDLD-UHFFFAOYSA-N
XLogP0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione (CID 103065086) is 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione is CCCC1NC(=O)CN(C2CCSC2)C1=O.
What is the InChIKey of 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione?
The InChIKey is BCODGVMOEFGDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-3-9-11(15)13(6-10(14)12-9)8-4-5-16-7-8/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione?
3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione has a molecular weight of 242.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 103065086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).