3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione

C11H18N2O3S — CID 113480612

IUPAC3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione
SMILESCS(=O)CCN1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C11H18N2O3S/c1-11(8-3-4-8)10(15)13(5-6-17(2)16)7-9(14)12-11/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyJKCKPDZRYYDDQM-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.51
Rot. Bonds4

About 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione

3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione (PubChem CID 113480612) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione
PubChem CID113480612
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione
SMILESCS(=O)CCN1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C11H18N2O3S/c1-11(8-3-4-8)10(15)13(5-6-17(2)16)7-9(14)12-11/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyJKCKPDZRYYDDQM-UHFFFAOYSA-N
XLogP-0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964160
3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459136
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
3-cyclopropyl-3-methyl-1-(thiolan-3-ylmethyl)piperazine-2,5-dione
CID 107298540
3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 64965764
3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969163
3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64882056
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880374
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-3-methylpiperazine-2,5-dione
CID 64968171
3-cyclopropyl-3-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960064
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione
CID 64964684

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione (CID 113480612) is 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione is CS(=O)CCN1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione?
The InChIKey is JKCKPDZRYYDDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(8-3-4-8)10(15)13(5-6-17(2)16)7-9(14)12-11/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione has a molecular weight of 258.34 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione is sourced from PubChem (CID 113480612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).