3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide

C11H15FN2OS — CID 43658536

IUPAC3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
SMILESCC(C)CSc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C11H15FN2OS/c1-7(2)6-16-10-4-3-8(5-9(10)12)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14)
InChIKeyYYQMDLIDUGIILL-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.67
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide (PubChem CID 43658536) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
PubChem CID43658536
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
SMILESCC(C)CSc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C11H15FN2OS/c1-7(2)6-16-10-4-3-8(5-9(10)12)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14)
InChIKeyYYQMDLIDUGIILL-UHFFFAOYSA-N
XLogP2.67
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.67
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 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide (CID 43658536) is 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide is CC(C)CSc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide?
The InChIKey is YYQMDLIDUGIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-7(2)6-16-10-4-3-8(5-9(10)12)11(13)14-15/h3-5,7,15H,6H2,1-2H3,(H2,13,14).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide has a molecular weight of 242.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 43658536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).