3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione

C12H20N2O2S — CID 114121775

IUPAC3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
SMILESCSC1CCCC1N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C12H20N2O2S/c1-7-12(16)14(8(2)11(15)13-7)9-5-4-6-10(9)17-3/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyWPTCOKOZVQPMFD-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.01
Rot. Bonds2

About 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione

3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione (PubChem CID 114121775) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
PubChem CID114121775
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
SMILESCSC1CCCC1N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C12H20N2O2S/c1-7-12(16)14(8(2)11(15)13-7)9-5-4-6-10(9)17-3/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyWPTCOKOZVQPMFD-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970393
3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione
CID 64959112
5-ethyl-3-(2-methylsulfanylcyclopentyl)-2-propylimidazolidin-4-one
CID 114121989
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
6-ethyl-1-(2-methoxycyclopentyl)-3-methylpiperazine-2,5-dione
CID 64968404
3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
CID 114121786
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3-tert-butyl-1-(2,3-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione
CID 64959127
3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione
CID 103936507
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149567
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325711

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione (CID 114121775) is 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione is CSC1CCCC1N1C(=O)C(C)NC(=O)C1C.
What is the InChIKey of 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione?
The InChIKey is WPTCOKOZVQPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7-12(16)14(8(2)11(15)13-7)9-5-4-6-10(9)17-3/h7-10H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione?
3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione has a molecular weight of 256.37 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione is sourced from PubChem (CID 114121775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).