2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide

C15H23N3S — CID 62930076

IUPAC2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(N2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H23N3S/c1-10-9-11(2)17-14(12(10)13(16)19)18-7-5-15(3,4)6-8-18/h9H,5-8H2,1-4H3,(H2,16,19)
InChIKeyZFOQNOMIOUELPP-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.96
Rot. Bonds2

About 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide

2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 62930076) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
PubChem CID62930076
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(N2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H23N3S/c1-10-9-11(2)17-14(12(10)13(16)19)18-7-5-15(3,4)6-8-18/h9H,5-8H2,1-4H3,(H2,16,19)
InChIKeyZFOQNOMIOUELPP-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.96
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 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide (CID 62930076) is 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(N2CCC(C)(C)CC2)n1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is ZFOQNOMIOUELPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-10-9-11(2)17-14(12(10)13(16)19)18-7-5-15(3,4)6-8-18/h9H,5-8H2,1-4H3,(H2,16,19).
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 277.44 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 62930076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).