4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide

C12H18N4OS — CID 136929458

IUPAC4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCC1SCCN(c2ccnc(/C(N)=N/O)c2)C1C
InChIInChI=1S/C12H18N4OS/c1-8-9(2)18-6-5-16(8)10-3-4-14-11(7-10)12(13)15-17/h3-4,7-9,17H,5-6H2,1-2H3,(H2,13,15)
InChIKeyVZGJREWXABMVQH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.51
Rot. Bonds2

About 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide

4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136929458) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136929458
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCC1SCCN(c2ccnc(/C(N)=N/O)c2)C1C
InChIInChI=1S/C12H18N4OS/c1-8-9(2)18-6-5-16(8)10-3-4-14-11(7-10)12(13)15-17/h3-4,7-9,17H,5-6H2,1-2H3,(H2,13,15)
InChIKeyVZGJREWXABMVQH-UHFFFAOYSA-N
XLogP1.51
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.51
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-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dimethylthiomorpholin-4-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 104874523
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136980807
N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 136762079
2-bromo-4-(2,3-dimethylthiomorpholin-4-yl)benzenecarbothioamide
CID 107278137
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 136967839
4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136726415
4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136750424
(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)phenyl]ethanol
CID 104874578
N'-hydroxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
CID 136868244
(1R)-1-[5-(2,3-dimethylthiomorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 104874543
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286
N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
CID 136960068

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136929458) is 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide is CC1SCCN(c2ccnc(/C(N)=N/O)c2)C1C.
What is the InChIKey of 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is VZGJREWXABMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-9(2)18-6-5-16(8)10-3-4-14-11(7-10)12(13)15-17/h3-4,7-9,17H,5-6H2,1-2H3,(H2,13,15).
What are the key properties of 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide?
4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 266.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136929458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).