4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide

C13H17FN2OS — CID 60885359

IUPAC4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(SC2CCCCC2)c(F)c1
InChIInChI=1S/C13H17FN2OS/c14-11-8-9(13(15)16-17)6-7-12(11)18-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2,(H2,15,16)
InChIKeyXNSXGUMGOMUCBN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.35
Rot. Bonds3

About 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide

4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 60885359) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID60885359
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC Name4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(SC2CCCCC2)c(F)c1
InChIInChI=1S/C13H17FN2OS/c14-11-8-9(13(15)16-17)6-7-12(11)18-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2,(H2,15,16)
InChIKeyXNSXGUMGOMUCBN-UHFFFAOYSA-N
XLogP3.35
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 60885359) is 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(SC2CCCCC2)c(F)c1.
What is the InChIKey of 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is XNSXGUMGOMUCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c14-11-8-9(13(15)16-17)6-7-12(11)18-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2,(H2,15,16).
What are the key properties of 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 268.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 60885359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).