(NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H15F2NOS — CID 89095379

IUPAC(NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\S(=O)C(C)(C)C)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/b15-8+
InChIKeyOVZIVACWALATJX-OVCLIPMQSA-N
MW259.32 g/mol
LogP3.24
Rot. Bonds2

About (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 89095379) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID89095379
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name(NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\S(=O)C(C)(C)C)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/b15-8+
InChIKeyOVZIVACWALATJX-OVCLIPMQSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 89095379) is (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\S(=O)C(C)(C)C)c1cc(F)ccc1F.
What is the InChIKey of (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is OVZIVACWALATJX-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/b15-8+.
What are the key properties of (NE)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[1-(2,5-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)-N-[1-(2,5-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89095379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).