5-tert-butylsulfanylpyridine-2-carboximidamide

C10H15N3S — CID 71756587

IUPAC5-tert-butylsulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC(C)(C)C)cn1
InChIInChI=1S/C10H15N3S/c1-10(2,3)14-7-4-5-8(9(11)12)13-6-7/h4-6H,1-3H3,(H3,11,12)
InChIKeyVJJWVNKQYMEHBX-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.26
Rot. Bonds2

About 5-tert-butylsulfanylpyridine-2-carboximidamide

5-tert-butylsulfanylpyridine-2-carboximidamide (PubChem CID 71756587) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-tert-butylsulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound Name5-tert-butylsulfanylpyridine-2-carboximidamide
PubChem CID71756587
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-tert-butylsulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC(C)(C)C)cn1
InChIInChI=1S/C10H15N3S/c1-10(2,3)14-7-4-5-8(9(11)12)13-6-7/h4-6H,1-3H3,(H3,11,12)
InChIKeyVJJWVNKQYMEHBX-UHFFFAOYSA-N
XLogP2.26
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide
CID 115490174
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
5-(tert-butylamino)pyridine-2-carboximidamide
CID 71756788
5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
CID 112736289
5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide
CID 115490175
5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
CID 115490097
5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490183
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
CID 113321384

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanylpyridine-2-carboximidamide?
The IUPAC name of 5-tert-butylsulfanylpyridine-2-carboximidamide (CID 71756587) is 5-tert-butylsulfanylpyridine-2-carboximidamide.
What is the SMILES notation for 5-tert-butylsulfanylpyridine-2-carboximidamide?
The canonical SMILES for 5-tert-butylsulfanylpyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(SC(C)(C)C)cn1.
What is the InChIKey of 5-tert-butylsulfanylpyridine-2-carboximidamide?
The InChIKey is VJJWVNKQYMEHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-10(2,3)14-7-4-5-8(9(11)12)13-6-7/h4-6H,1-3H3,(H3,11,12).
What are the key properties of 5-tert-butylsulfanylpyridine-2-carboximidamide?
5-tert-butylsulfanylpyridine-2-carboximidamide has a molecular weight of 209.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 71756587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).