3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide

C11H20N2OS — CID 62331621

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide
SMILESCC1CCN(C(=O)C(C)C(N)=S)C(C)C1
InChIInChI=1S/C11H20N2OS/c1-7-4-5-13(8(2)6-7)11(14)9(3)10(12)15/h7-9H,4-6H2,1-3H3,(H2,12,15)
InChIKeyZUVBZPRBRNQFRA-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.56
Rot. Bonds2

About 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide

3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide (PubChem CID 62331621) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide
PubChem CID62331621
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide
SMILESCC1CCN(C(=O)C(C)C(N)=S)C(C)C1
InChIInChI=1S/C11H20N2OS/c1-7-4-5-13(8(2)6-7)11(14)9(3)10(12)15/h7-9H,4-6H2,1-3H3,(H2,12,15)
InChIKeyZUVBZPRBRNQFRA-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide 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 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide (CID 62331621) is 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide is CC1CCN(C(=O)C(C)C(N)=S)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide?
The InChIKey is ZUVBZPRBRNQFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-7-4-5-13(8(2)6-7)11(14)9(3)10(12)15/h7-9H,4-6H2,1-3H3,(H2,12,15).
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide?
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide has a molecular weight of 228.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide is sourced from PubChem (CID 62331621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).