3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione

C12H16N2O2S — CID 66354371

IUPAC3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(c2ccsc2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-7(2)10-11(15)13-8(3)12(16)14(10)9-4-5-17-6-9/h4-8,10H,1-3H3,(H,13,15)
InChIKeyODDKKWKRNGDRJF-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.62
Rot. Bonds2

About 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione

3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione (PubChem CID 66354371) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
PubChem CID66354371
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(c2ccsc2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-7(2)10-11(15)13-8(3)12(16)14(10)9-4-5-17-6-9/h4-8,10H,1-3H3,(H,13,15)
InChIKeyODDKKWKRNGDRJF-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione (CID 66354371) is 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(c2ccsc2)C1=O.
What is the InChIKey of 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione?
The InChIKey is ODDKKWKRNGDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7(2)10-11(15)13-8(3)12(16)14(10)9-4-5-17-6-9/h4-8,10H,1-3H3,(H,13,15).
What are the key properties of 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione?
3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione has a molecular weight of 252.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione is sourced from PubChem (CID 66354371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).