(NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H16FNOS — CID 58082908

IUPAC(NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\S(=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/b14-9+
InChIKeyOKHWNHLHWQZWEC-NTEUORMPSA-N
MW241.33 g/mol
LogP3.10
Rot. Bonds2

About (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 58082908) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID58082908
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name(NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\S(=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/b14-9+
InChIKeyOKHWNHLHWQZWEC-NTEUORMPSA-N
XLogP3.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 58082908) is (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\S(=O)C(C)(C)C)c1ccccc1F.
What is the InChIKey of (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is OKHWNHLHWQZWEC-NTEUORMPSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/b14-9+.
What are the key properties of (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 241.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 58082908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).