5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide

C11H15FN2O2S — CID 55259578

IUPAC5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide
SMILESCOCCCSc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C11H15FN2O2S/c1-16-5-2-6-17-10-4-3-8(12)7-9(10)11(13)14-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14)
InChIKeyIUEJWXOSYALFKP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds6

About 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide (PubChem CID 55259578) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide
PubChem CID55259578
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide
SMILESCOCCCSc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C11H15FN2O2S/c1-16-5-2-6-17-10-4-3-8(12)7-9(10)11(13)14-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14)
InChIKeyIUEJWXOSYALFKP-UHFFFAOYSA-N
XLogP2.05
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide (CID 55259578) is 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide is COCCCSc1ccc(F)cc1/C(N)=N/O.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide?
The InChIKey is IUEJWXOSYALFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-16-5-2-6-17-10-4-3-8(12)7-9(10)11(13)14-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14).
What are the key properties of 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide has a molecular weight of 258.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(3-methoxypropylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 55259578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).