5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide

C9H11N3OS — CID 115490175

IUPAC5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC2COC2)cn1
InChIInChI=1S/C9H11N3OS/c10-9(11)8-2-1-6(3-12-8)14-7-4-13-5-7/h1-3,7H,4-5H2,(H3,10,11)
InChIKeyYSQLHZXWNBSJJB-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.86
Rot. Bonds3

About 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide

5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide (PubChem CID 115490175) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide
PubChem CID115490175
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC2COC2)cn1
InChIInChI=1S/C9H11N3OS/c10-9(11)8-2-1-6(3-12-8)14-7-4-13-5-7/h1-3,7H,4-5H2,(H3,10,11)
InChIKeyYSQLHZXWNBSJJB-UHFFFAOYSA-N
XLogP0.86
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(oxetan-3-ylsulfanyl)pyridine-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

5-tert-butylsulfanylpyridine-2-carboximidamide
CID 71756587
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490183
5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
CID 112736289
5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide
CID 115490174
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
5-morpholin-4-ylpyridine-2-carboximidamide
CID 115489462
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
CID 115490097
1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 112585172
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
CID 113321384

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide?
The IUPAC name of 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide (CID 115490175) is 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(SC2COC2)cn1.
What is the InChIKey of 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide?
The InChIKey is YSQLHZXWNBSJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c10-9(11)8-2-1-6(3-12-8)14-7-4-13-5-7/h1-3,7H,4-5H2,(H3,10,11).
What are the key properties of 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide?
5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide has a molecular weight of 209.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide is sourced from PubChem (CID 115490175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).