2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide

C10H16N2O2S — CID 61123321

IUPAC2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide
SMILESCCC(C)(C(N)=S)N1C(=O)CCCC1=O
InChIInChI=1S/C10H16N2O2S/c1-3-10(2,9(11)15)12-7(13)5-4-6-8(12)14/h3-6H2,1-2H3,(H2,11,15)
InChIKeyQFIXUSFPCZCWTE-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.98
Rot. Bonds3

About 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide

2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide (PubChem CID 61123321) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide
PubChem CID61123321
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide
SMILESCCC(C)(C(N)=S)N1C(=O)CCCC1=O
InChIInChI=1S/C10H16N2O2S/c1-3-10(2,9(11)15)12-7(13)5-4-6-8(12)14/h3-6H2,1-2H3,(H2,11,15)
InChIKeyQFIXUSFPCZCWTE-UHFFFAOYSA-N
XLogP0.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide (CID 61123321) is 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide is CCC(C)(C(N)=S)N1C(=O)CCCC1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide?
The InChIKey is QFIXUSFPCZCWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-10(2,9(11)15)12-7(13)5-4-6-8(12)14/h3-6H2,1-2H3,(H2,11,15).
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide?
2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide has a molecular weight of 228.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide is sourced from PubChem (CID 61123321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).