3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide

C11H22N2S — CID 43367734

IUPAC3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide
SMILESCC1CC(C)CN(CC(C)C(N)=S)C1
InChIInChI=1S/C11H22N2S/c1-8-4-9(2)6-13(5-8)7-10(3)11(12)14/h8-10H,4-7H2,1-3H3,(H2,12,14)
InChIKeyZFUQARNCJXWVAH-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.89
Rot. Bonds3

About 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide

3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide (PubChem CID 43367734) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide
PubChem CID43367734
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide
SMILESCC1CC(C)CN(CC(C)C(N)=S)C1
InChIInChI=1S/C11H22N2S/c1-8-4-9(2)6-13(5-8)7-10(3)11(12)14/h8-10H,4-7H2,1-3H3,(H2,12,14)
InChIKeyZFUQARNCJXWVAH-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide 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-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide (CID 43367734) is 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide is CC1CC(C)CN(CC(C)C(N)=S)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide?
The InChIKey is ZFUQARNCJXWVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-8-4-9(2)6-13(5-8)7-10(3)11(12)14/h8-10H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide?
3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide has a molecular weight of 214.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-2-methylpropanethioamide is sourced from PubChem (CID 43367734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).