1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione

C13H18N2O2S — CID 64875250

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)C(C)NC(=O)C2C)s1
InChIInChI=1S/C13H18N2O2S/c1-4-10-5-6-11(18-10)7-15-9(3)12(16)14-8(2)13(15)17/h5-6,8-9H,4,7H2,1-3H3,(H,14,16)
InChIKeyONFSEBMJQFFMFK-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.55
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione

1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64875250) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID64875250
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)C(C)NC(=O)C2C)s1
InChIInChI=1S/C13H18N2O2S/c1-4-10-5-6-11(18-10)7-15-9(3)12(16)14-8(2)13(15)17/h5-6,8-9H,4,7H2,1-3H3,(H,14,16)
InChIKeyONFSEBMJQFFMFK-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64901564
2-[(5-ethylthiophen-2-yl)methyl]-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106009295
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873082
1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902675
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635
1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64969942
3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64872687
1-[(5-ethylthiophen-2-yl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 64880654
1-[(3-bromo-4-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873863
1-[(2-methoxy-4-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64969988
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione (CID 64875250) is 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione is CCc1ccc(CN2C(=O)C(C)NC(=O)C2C)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is ONFSEBMJQFFMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-10-5-6-11(18-10)7-15-9(3)12(16)14-8(2)13(15)17/h5-6,8-9H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione?
1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 266.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64875250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).