3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione

C11H14N2O2S — CID 66068464

IUPAC3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione
SMILESCC1(C)NCC(=O)N(Cc2ccsc2)C1=O
InChIInChI=1S/C11H14N2O2S/c1-11(2)10(15)13(9(14)5-12-11)6-8-3-4-16-7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyYEDHDNRCGBWRPS-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.99
Rot. Bonds2

About 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione

3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione (PubChem CID 66068464) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione
PubChem CID66068464
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione
SMILESCC1(C)NCC(=O)N(Cc2ccsc2)C1=O
InChIInChI=1S/C11H14N2O2S/c1-11(2)10(15)13(9(14)5-12-11)6-8-3-4-16-7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyYEDHDNRCGBWRPS-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,6-dione
CID 66068855
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66068846
3-[(3,3-dimethyl-2,6-dioxopiperazin-1-yl)methyl]benzonitrile
CID 66067693
1-ethyl-3,3-dimethylpiperazine-2,6-dione
CID 66067687
3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione
CID 79260717
6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64902965
3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2,6-dione
CID 82892131
1-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069421
4-(thiophen-3-ylmethyl)-1,4-benzoxazin-3-one
CID 54161143
(5S)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282965
(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282962
5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45183515

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione (CID 66068464) is 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione is CC1(C)NCC(=O)N(Cc2ccsc2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione?
The InChIKey is YEDHDNRCGBWRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-11(2)10(15)13(9(14)5-12-11)6-8-3-4-16-7-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione?
3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione has a molecular weight of 238.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 66068464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).