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

C10H16N2O2S — CID 103065085

IUPAC3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(C2CCSC2)C1=O
InChIInChI=1S/C10H16N2O2S/c1-10(2)9(14)12(5-8(13)11-10)7-3-4-15-6-7/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyIGLFVEIYDFYPLW-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.23
Rot. Bonds1

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

3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione (PubChem CID 103065085) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione
PubChem CID103065085
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(C2CCSC2)C1=O
InChIInChI=1S/C10H16N2O2S/c1-10(2)9(14)12(5-8(13)11-10)7-3-4-15-6-7/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyIGLFVEIYDFYPLW-UHFFFAOYSA-N
XLogP0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione (CID 103065085) is 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione is CC1(C)NC(=O)CN(C2CCSC2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione?
The InChIKey is IGLFVEIYDFYPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2)9(14)12(5-8(13)11-10)7-3-4-15-6-7/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione?
3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione has a molecular weight of 228.32 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 103065085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).