2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide

C15H23N3OS — CID 102743945

IUPAC2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C15H23N3OS/c1-10-6-11(13(16)20)7-12(17-10)18-8-14(2,3)19-15(4,5)9-18/h6-7H,8-9H2,1-5H3,(H2,16,20)
InChIKeyVRBXGOWYQXCGTQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.42
Rot. Bonds2

About 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide

2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide (PubChem CID 102743945) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide
PubChem CID102743945
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C15H23N3OS/c1-10-6-11(13(16)20)7-12(17-10)18-8-14(2,3)19-15(4,5)9-18/h6-7H,8-9H2,1-5H3,(H2,16,20)
InChIKeyVRBXGOWYQXCGTQ-UHFFFAOYSA-N
XLogP2.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboximidamide
CID 102744106
2-(3,5-dioxopiperazin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767776
1-(4-carbamothioyl-6-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318515
4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarbothioamide
CID 102743930
2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338
2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768027
2-methyl-6-(4-propan-2-ylazepan-1-yl)pyridine-4-carbothioamide
CID 114767724
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carbothioamide
CID 114767266
3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarbothioamide
CID 102743940
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide
CID 114767295
2-(2,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768007
2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide (CID 102743945) is 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(N2CC(C)(C)OC(C)(C)C2)n1.
What is the InChIKey of 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide?
The InChIKey is VRBXGOWYQXCGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-6-11(13(16)20)7-12(17-10)18-8-14(2,3)19-15(4,5)9-18/h6-7H,8-9H2,1-5H3,(H2,16,20).
What are the key properties of 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide?
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide has a molecular weight of 293.44 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide is sourced from PubChem (CID 102743945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).