3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide

C15H22N2OS — CID 77044152

IUPAC3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CSC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2OS/c16-15(17-18)14(12-7-3-1-4-8-12)11-19-13-9-5-2-6-10-13/h1,3-4,7-8,13-14,18H,2,5-6,9-11H2,(H2,16,17)
InChIKeyQUDTYVVJMMAVTD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.58
Rot. Bonds5

About 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide

3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77044152) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77044152
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CSC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2OS/c16-15(17-18)14(12-7-3-1-4-8-12)11-19-13-9-5-2-6-10-13/h1,3-4,7-8,13-14,18H,2,5-6,9-11H2,(H2,16,17)
InChIKeyQUDTYVVJMMAVTD-UHFFFAOYSA-N
XLogP3.58
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.58
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
3-(2,3-dihydroxypropylsulfanyl)-N'-hydroxy-2-phenylpropanimidamide
CID 79682395
3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 102862953
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044047
N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
CID 102958325
N'-hydroxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanimidamide
CID 115383021

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide (CID 77044152) is 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide is NC(=NO)C(CSC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is QUDTYVVJMMAVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-15(17-18)14(12-7-3-1-4-8-12)11-19-13-9-5-2-6-10-13/h1,3-4,7-8,13-14,18H,2,5-6,9-11H2,(H2,16,17).
What are the key properties of 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide?
3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 278.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77044152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).