4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide

C11H17N3S — CID 63881662

IUPAC4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CSCC(C)C)ccn1
InChIInChI=1S/C11H17N3S/c1-8(2)6-15-7-9-3-4-14-10(5-9)11(12)13/h3-5,8H,6-7H2,1-2H3,(H3,12,13)
InChIKeyIHQCMLKBCDGYRW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.25
Rot. Bonds5

About 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide

4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide (PubChem CID 63881662) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
PubChem CID63881662
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CSCC(C)C)ccn1
InChIInChI=1S/C11H17N3S/c1-8(2)6-15-7-9-3-4-14-10(5-9)11(12)13/h3-5,8H,6-7H2,1-2H3,(H3,12,13)
InChIKeyIHQCMLKBCDGYRW-UHFFFAOYSA-N
XLogP2.25
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.25
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

4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 107750271
4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide
CID 63881838
4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881655
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63883004
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 112660217
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 107770761
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide?
The IUPAC name of 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide (CID 63881662) is 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CSCC(C)C)ccn1.
What is the InChIKey of 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide?
The InChIKey is IHQCMLKBCDGYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8(2)6-15-7-9-3-4-14-10(5-9)11(12)13/h3-5,8H,6-7H2,1-2H3,(H3,12,13).
What are the key properties of 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide?
4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide has a molecular weight of 223.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 63881662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).