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

C13H22N2O2S — CID 113474633

IUPAC6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
SMILESCSCCCN1C(=O)C(C)(C)NC(=O)C1C1CC1
InChIInChI=1S/C13H22N2O2S/c1-13(2)12(17)15(7-4-8-18-3)10(9-5-6-9)11(16)14-13/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyIVWFTIANGSSLLI-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.26
Rot. Bonds5

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

6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione (PubChem CID 113474633) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
PubChem CID113474633
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
SMILESCSCCCN1C(=O)C(C)(C)NC(=O)C1C1CC1
InChIInChI=1S/C13H22N2O2S/c1-13(2)12(17)15(7-4-8-18-3)10(9-5-6-9)11(16)14-13/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyIVWFTIANGSSLLI-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650380
6-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine-2,5-dione
CID 103414640
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64903708
6-cyclopropyl-3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943725
6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 103184650
3,6-dicyclopropyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83149405
6-cyclopropyl-3,3-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141791
3,3,6,6-tetramethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474635
3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257328
6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64887009
2-cyclopentyl-3-(2-methylsulfanylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257871

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione (CID 113474633) is 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione is CSCCCN1C(=O)C(C)(C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione?
The InChIKey is IVWFTIANGSSLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-13(2)12(17)15(7-4-8-18-3)10(9-5-6-9)11(16)14-13/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione?
6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione has a molecular weight of 270.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 113474633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).