4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide

C15H23N3OS — CID 102743928

IUPAC4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide
SMILESCc1ccnc(N2CC(C)(C)OC(C)(C)C2)c1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-10-6-7-17-13(11(10)12(16)20)18-8-14(2,3)19-15(4,5)9-18/h6-7H,8-9H2,1-5H3,(H2,16,20)
InChIKeyBEGWSDZYEDGQBC-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.42
Rot. Bonds2

About 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide

4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide (PubChem CID 102743928) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide
PubChem CID102743928
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide
SMILESCc1ccnc(N2CC(C)(C)OC(C)(C)C2)c1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-10-6-7-17-13(11(10)12(16)20)18-8-14(2,3)19-15(4,5)9-18/h6-7H,8-9H2,1-5H3,(H2,16,20)
InChIKeyBEGWSDZYEDGQBC-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'}

Analyze 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide 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 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide?
The IUPAC name of 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide (CID 102743928) is 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide?
The canonical SMILES for 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide is Cc1ccnc(N2CC(C)(C)OC(C)(C)C2)c1C(N)=S.
What is the InChIKey of 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide?
The InChIKey is BEGWSDZYEDGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-6-7-17-13(11(10)12(16)20)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 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide?
4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-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 4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 102743928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).