6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione

C12H16N2O2S — CID 64880870

IUPAC6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCC1(C)C(=O)NCC(=O)N1CCc1cccs1
InChIInChI=1S/C12H16N2O2S/c1-12(2)11(16)13-8-10(15)14(12)6-5-9-4-3-7-17-9/h3-4,7H,5-6,8H2,1-2H3,(H,13,16)
InChIKeyANAWRGUNERDVGJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.03
Rot. Bonds3

About 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione

6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 64880870) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID64880870
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCC1(C)C(=O)NCC(=O)N1CCc1cccs1
InChIInChI=1S/C12H16N2O2S/c1-12(2)11(16)13-8-10(15)14(12)6-5-9-4-3-7-17-9/h3-4,7H,5-6,8H2,1-2H3,(H,13,16)
InChIKeyANAWRGUNERDVGJ-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione with MolForge

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Related Compounds

4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459119
1-[(2,3-difluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64880676
1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64873649
(5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 99857059
5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione
CID 115945934
1-(2-thiophen-2-ylethyl)piperidine-2,4-dione
CID 79516632
6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64879360
9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64879048
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
2,2-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 63774564
2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64845507

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione (CID 64880870) is 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione is CC1(C)C(=O)NCC(=O)N1CCc1cccs1.
What is the InChIKey of 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is ANAWRGUNERDVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-12(2)11(16)13-8-10(15)14(12)6-5-9-4-3-7-17-9/h3-4,7H,5-6,8H2,1-2H3,(H,13,16).
What are the key properties of 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 252.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64880870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).