3-(2,3-dimethylpiperidin-1-yl)pentanethioamide

C12H24N2S — CID 62122843

IUPAC3-(2,3-dimethylpiperidin-1-yl)pentanethioamide
SMILESCCC(CC(N)=S)N1CCCC(C)C1C
InChIInChI=1S/C12H24N2S/c1-4-11(8-12(13)15)14-7-5-6-9(2)10(14)3/h9-11H,4-8H2,1-3H3,(H2,13,15)
InChIKeyDNYMCJPUYQPJAQ-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.56
Rot. Bonds4

About 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide

3-(2,3-dimethylpiperidin-1-yl)pentanethioamide (PubChem CID 62122843) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide.

Molecular Properties

Compound Name3-(2,3-dimethylpiperidin-1-yl)pentanethioamide
PubChem CID62122843
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3-(2,3-dimethylpiperidin-1-yl)pentanethioamide
SMILESCCC(CC(N)=S)N1CCCC(C)C1C
InChIInChI=1S/C12H24N2S/c1-4-11(8-12(13)15)14-7-5-6-9(2)10(14)3/h9-11H,4-8H2,1-3H3,(H2,13,15)
InChIKeyDNYMCJPUYQPJAQ-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide 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-(2,3-dimethylpiperidin-1-yl)pentanethioamide?
The IUPAC name of 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide (CID 62122843) is 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide.
What is the SMILES notation for 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide?
The canonical SMILES for 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide is CCC(CC(N)=S)N1CCCC(C)C1C.
What is the InChIKey of 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide?
The InChIKey is DNYMCJPUYQPJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-4-11(8-12(13)15)14-7-5-6-9(2)10(14)3/h9-11H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide?
3-(2,3-dimethylpiperidin-1-yl)pentanethioamide has a molecular weight of 228.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpiperidin-1-yl)pentanethioamide is sourced from PubChem (CID 62122843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).