2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide

C12H20N2O2S — CID 79506060

IUPAC2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide
SMILESCC1CC(=O)N(CCC(C)(C)C(N)=S)C(=O)C1
InChIInChI=1S/C12H20N2O2S/c1-8-6-9(15)14(10(16)7-8)5-4-12(2,3)11(13)17/h8H,4-7H2,1-3H3,(H2,13,17)
InChIKeyXXYGTELYWKTGFX-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.47
Rot. Bonds4

About 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide

2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide (PubChem CID 79506060) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide
PubChem CID79506060
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide
SMILESCC1CC(=O)N(CCC(C)(C)C(N)=S)C(=O)C1
InChIInChI=1S/C12H20N2O2S/c1-8-6-9(15)14(10(16)7-8)5-4-12(2,3)11(13)17/h8H,4-7H2,1-3H3,(H2,13,17)
InChIKeyXXYGTELYWKTGFX-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.47
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-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide 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

2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide
CID 65248712
4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide
CID 65248821
2,2-dimethyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 114513551
2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide
CID 65248880
5-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpentanethioamide
CID 65260157
2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 65249399
4-(3,5-dioxopiperazin-1-yl)-2,2-dimethylbutanethioamide
CID 66084496
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide
CID 65248645
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,2-dimethylbutanethioamide
CID 65247296
2,2-dimethyl-4-(3-methylthiomorpholin-4-yl)butanethioamide
CID 65248640
2,2-dimethyl-4-(3-methyl-2-oxoimidazol-1-yl)butanethioamide
CID 80581134

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide?
The IUPAC name of 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide (CID 79506060) is 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide?
The canonical SMILES for 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide is CC1CC(=O)N(CCC(C)(C)C(N)=S)C(=O)C1.
What is the InChIKey of 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide?
The InChIKey is XXYGTELYWKTGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-6-9(15)14(10(16)7-8)5-4-12(2,3)11(13)17/h8H,4-7H2,1-3H3,(H2,13,17).
What are the key properties of 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide?
2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide has a molecular weight of 256.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide is sourced from PubChem (CID 79506060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).