4-(cyclohexylsulfanylmethyl)benzenecarboximidamide

C14H20N2S — CID 60884513

IUPAC4-(cyclohexylsulfanylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSC2CCCCC2)cc1
InChIInChI=1S/C14H20N2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H3,15,16)
InChIKeyWZVZXXHGYLGBCA-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.54
Rot. Bonds4

About 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide

4-(cyclohexylsulfanylmethyl)benzenecarboximidamide (PubChem CID 60884513) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclohexylsulfanylmethyl)benzenecarboximidamide
PubChem CID60884513
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name4-(cyclohexylsulfanylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSC2CCCCC2)cc1
InChIInChI=1S/C14H20N2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H3,15,16)
InChIKeyWZVZXXHGYLGBCA-UHFFFAOYSA-N
XLogP3.54
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
1-chloro-4-(cyclohexylsulfanylmethyl)benzene
CID 134896905
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032
4-(cyclohexylamino)benzenecarboximidamide
CID 54550444
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-prop-2-enylbenzenecarboximidamide
CID 67813760
4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
CID 163272018
4-(3-hydroxypropylsulfanylmethyl)benzenecarboximidamide
CID 66113210
4-(3-methylbutan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107750263

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide (CID 60884513) is 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CSC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is WZVZXXHGYLGBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H3,15,16).
What are the key properties of 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide?
4-(cyclohexylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 248.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 60884513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).