(NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H15F2NOS — CID 89094867

IUPAC(NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@@](=O)C(C)(C)C)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)11-9(13)6-5-7-10(11)14/h5-7H,1-4H3/b15-8+/t17-/m0/s1
InChIKeyRURBDLLLUSOTCS-BXUGYJKXSA-N
MW259.32 g/mol
LogP3.24
Rot. Bonds2

About (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 89094867) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID89094867
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name(NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@@](=O)C(C)(C)C)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)11-9(13)6-5-7-10(11)14/h5-7H,1-4H3/b15-8+/t17-/m0/s1
InChIKeyRURBDLLLUSOTCS-BXUGYJKXSA-N
XLogP3.24
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (NE,S)-N-[1-(2,6-difluorophenyl)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

Related Compounds

4'-Fluoroacetophenone oxime
CID 5382861
(NE)-N-[2-(3,4-difluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11550569
(NE)-N-[2-(3,4-difluorophenyl)-3-ethylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11579567
(NE)-N-[(E)-1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
CID 44135995
1-(4-Fluorophenyl)ethanone oxime
CID 9497
(NE)-N-[2-(3,4-difluorophenyl)-3-methylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11586611
O-Fluoroacetophenone oxime
CID 9603264
N-[1-(2-fluorophenyl)ethylidene]hydroxylamine
CID 592758
N-(1-(3-Fluorophenyl)ethylidene)hydroxylamine
CID 71359994
(R,E)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86660404
4-(4-Fluorophenyl)dithiazole-5-thione
CID 44569470
N-[1-(4-fluorophenyl)ethylidene]hydroxylamine
CID 5359388

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 89094867) is (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\[S@@](=O)C(C)(C)C)c1c(F)cccc1F.
What is the InChIKey of (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is RURBDLLLUSOTCS-BXUGYJKXSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)11-9(13)6-5-7-10(11)14/h5-7H,1-4H3/b15-8+/t17-/m0/s1.
What are the key properties of (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 259.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89094867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).