5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide

C11H15FN2OS — CID 66103369

IUPAC5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1SCC(C)CO
InChIInChI=1S/C11H15FN2OS/c1-7(5-15)6-16-10-3-2-8(12)4-9(10)11(13)14/h2-4,7,15H,5-6H2,1H3,(H3,13,14)
InChIKeyFIYUNLRZXLSBKR-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.83
Rot. Bonds5

About 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide

5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide (PubChem CID 66103369) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
PubChem CID66103369
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1SCC(C)CO
InChIInChI=1S/C11H15FN2OS/c1-7(5-15)6-16-10-3-2-8(12)4-9(10)11(13)14/h2-4,7,15H,5-6H2,1H3,(H3,13,14)
InChIKeyFIYUNLRZXLSBKR-UHFFFAOYSA-N
XLogP1.83
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide (CID 66103369) is 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1SCC(C)CO.
What is the InChIKey of 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide?
The InChIKey is FIYUNLRZXLSBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-7(5-15)6-16-10-3-2-8(12)4-9(10)11(13)14/h2-4,7,15H,5-6H2,1H3,(H3,13,14).
What are the key properties of 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide?
5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide has a molecular weight of 242.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 66103369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).