2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide

C10H15N3S — CID 130560252

IUPAC2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC(C)C)nc1C
InChIInChI=1S/C10H15N3S/c1-6(2)14-9-5-4-8(10(11)12)7(3)13-9/h4-6H,1-3H3,(H3,11,12)
InChIKeyITTNKTZQETWHGB-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide

2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide (PubChem CID 130560252) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide
PubChem CID130560252
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC(C)C)nc1C
InChIInChI=1S/C10H15N3S/c1-6(2)14-9-5-4-8(10(11)12)7(3)13-9/h4-6H,1-3H3,(H3,11,12)
InChIKeyITTNKTZQETWHGB-UHFFFAOYSA-N
XLogP2.17
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.17
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

6-ethylsulfanyl-2-methylpyridine-3-carboximidamide
CID 130560250
6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
CID 82452729
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 65043483
6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
CID 82453003
2-(3-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057
2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide
CID 115505587
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992
2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 79188625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide?
The IUPAC name of 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide (CID 130560252) is 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide.
What is the SMILES notation for 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide?
The canonical SMILES for 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(SC(C)C)nc1C.
What is the InChIKey of 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide?
The InChIKey is ITTNKTZQETWHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6(2)14-9-5-4-8(10(11)12)7(3)13-9/h4-6H,1-3H3,(H3,11,12).
What are the key properties of 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide?
2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide has a molecular weight of 209.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 130560252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).