(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H14FNOS — CID 17748530

IUPAC(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/C1=CC=C(C=C1)F
InChIInChI=1S/C11H14FNOS/c1-11(2,3)15(14)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+
InChIKeyBORKUOMEZNUZAA-MDWZMJQESA-N
MW227.30 g/mol
LogP2.10
Rot. Bonds3

About (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 17748530) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID17748530
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/C1=CC=C(C=C1)F
InChIInChI=1S/C11H14FNOS/c1-11(2,3)15(14)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+
InChIKeyBORKUOMEZNUZAA-MDWZMJQESA-N
XLogP2.10
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity252

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-methylmethanimine oxide
CID 5392831
N-(4-Fluorobenzylidene)-4-methylbenzenesulfonamide
CID 9581544
N-Tosyl(4-fluorophenyl)methanimine
CID 766942
[N(E),S(S)]-N-phenylmethyleneperfluorobutanesulfinamide
CID 138395047
[N(E),S(S)]-N-(4-methylphenyl)methyleneperfluorobutanesulfinamide
CID 138395048
[N(E),S(S)]-N-(3-Fluorophenyl)methyleneperfluorobutanesulfinamide
CID 138395053
[N(E),S(S)]-N-(2-Fluorophenyl)methyleneperfluorobutanesulfinamide
CID 138395054
(NE)-N-[(3-fluorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 11437368
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(4-methylphenyl)methylidene]butane-1-sulfinamide
CID 125477219
(S)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
CID 125477285
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(2-fluorophenyl)methylidene]butane-1-sulfinamide
CID 125477428
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide
CID 125477454

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 17748530) is (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)/N=C/C1=CC=C(C=C1)F.
What is the InChIKey of (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is BORKUOMEZNUZAA-MDWZMJQESA-N. The full InChI is InChI=1S/C11H14FNOS/c1-11(2,3)15(14)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+.
What are the key properties of (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 227.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 17748530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).