4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C14H22N4OS — CID 81053897

IUPAC4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N2CC(C)SC(C)C2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H22N4OS/c1-8-5-12(13(11(4)16-8)14(15)17-19)18-6-9(2)20-10(3)7-18/h5,9-10,19H,6-7H2,1-4H3,(H2,15,17)
InChIKeyOGKWQJIPLMPIEP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.12
Rot. Bonds2

About 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81053897) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81053897
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N2CC(C)SC(C)C2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H22N4OS/c1-8-5-12(13(11(4)16-8)14(15)17-19)18-6-9(2)20-10(3)7-18/h5,9-10,19H,6-7H2,1-4H3,(H2,15,17)
InChIKeyOGKWQJIPLMPIEP-UHFFFAOYSA-N
XLogP2.12
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide 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-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 81053897) is 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(N2CC(C)SC(C)C2)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is OGKWQJIPLMPIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-8-5-12(13(11(4)16-8)14(15)17-19)18-6-9(2)20-10(3)7-18/h5,9-10,19H,6-7H2,1-4H3,(H2,15,17).
What are the key properties of 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 294.42 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81053897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).