6-cyclohexylsulfanylpyridine-3-carboximidamide

C12H17N3S — CID 60887032

IUPAC6-cyclohexylsulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C12H17N3S/c13-12(14)9-6-7-11(15-8-9)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H3,13,14)
InChIKeyPHSGXFJEQVTMMD-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.79
Rot. Bonds3

About 6-cyclohexylsulfanylpyridine-3-carboximidamide

6-cyclohexylsulfanylpyridine-3-carboximidamide (PubChem CID 60887032) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 6-cyclohexylsulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound Name6-cyclohexylsulfanylpyridine-3-carboximidamide
PubChem CID60887032
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name6-cyclohexylsulfanylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C12H17N3S/c13-12(14)9-6-7-11(15-8-9)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H3,13,14)
InChIKeyPHSGXFJEQVTMMD-UHFFFAOYSA-N
XLogP2.79
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.79
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-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 60884933
6-(dicyclohexylamino)pyridine-3-carboximidamide
CID 43823179
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
4-(cyclohexylsulfanylmethyl)benzenecarboximidamide
CID 60884513
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pyridine-3-carboximidamide
CID 115479801
2-cyclohexylsulfanylpyrimidine-4-carboximidamide
CID 107551814
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboximidamide
CID 115478465
2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
CID 79522067
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503041
4-(cyclohexylamino)benzenecarboximidamide
CID 54550444
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60875812

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfanylpyridine-3-carboximidamide?
The IUPAC name of 6-cyclohexylsulfanylpyridine-3-carboximidamide (CID 60887032) is 6-cyclohexylsulfanylpyridine-3-carboximidamide.
What is the SMILES notation for 6-cyclohexylsulfanylpyridine-3-carboximidamide?
The canonical SMILES for 6-cyclohexylsulfanylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(SC2CCCCC2)nc1.
What is the InChIKey of 6-cyclohexylsulfanylpyridine-3-carboximidamide?
The InChIKey is PHSGXFJEQVTMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c13-12(14)9-6-7-11(15-8-9)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H3,13,14).
What are the key properties of 6-cyclohexylsulfanylpyridine-3-carboximidamide?
6-cyclohexylsulfanylpyridine-3-carboximidamide has a molecular weight of 235.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 60887032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).