4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide

C14H21N3S — CID 61177475

IUPAC4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(N2CCCCC2C)n1
InChIInChI=1S/C14H21N3S/c1-9-8-10(2)16-14(12(9)13(15)18)17-7-5-4-6-11(17)3/h8,11H,4-7H2,1-3H3,(H2,15,18)
InChIKeyAHRUNRBLCIGHEA-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.71
Rot. Bonds2

About 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide

4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide (PubChem CID 61177475) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
PubChem CID61177475
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(N2CCCCC2C)n1
InChIInChI=1S/C14H21N3S/c1-9-8-10(2)16-14(12(9)13(15)18)17-7-5-4-6-11(17)3/h8,11H,4-7H2,1-3H3,(H2,15,18)
InChIKeyAHRUNRBLCIGHEA-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide (CID 61177475) is 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(N2CCCCC2C)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide?
The InChIKey is AHRUNRBLCIGHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-9-8-10(2)16-14(12(9)13(15)18)17-7-5-4-6-11(17)3/h8,11H,4-7H2,1-3H3,(H2,15,18).
What are the key properties of 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide?
4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide has a molecular weight of 263.41 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 61177475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).