(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H15F2NOS — CID 90373303

IUPAC(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)9-6-5-7-10(13)11(9)14/h5-7H,1-4H3/b15-8-/t17-/m1/s1
InChIKeyPVXUJNHWWBQWLG-XYMPBJBSSA-N
MW259.32 g/mol
LogP3.24
Rot. Bonds2

About (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 90373303) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID90373303
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)9-6-5-7-10(13)11(9)14/h5-7H,1-4H3/b15-8-/t17-/m1/s1
InChIKeyPVXUJNHWWBQWLG-XYMPBJBSSA-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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Related Compounds

(R)-N-[1-(3-amino-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 152664377
(R)-N-[1-(2-chloro-3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86732268
(NZ,R)-N-[1-(2-fluoro-3-isocyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 172536203
(NZ,S)-N-[1-[3-(1,1-difluoroethylsulfonyl)-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 171586356
(NZ)-N-[1-[3-(1,1-difluoro-2-hydroxypropyl)-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 167376084
(R)-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethylidene]-2-methylpropane-2-sulfinamide;(R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 161099398
(R)-N-[1-(3-bromo-2-methylphenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 123770809
(NE,R)-N-[1-(4-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 153436878
(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 131748352
(NE,S)-N-[1-[2-fluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 155265401
N-tert-butylsulfanyl-1-(2,3-difluorophenyl)ethanimine
CID 174890711
(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 121324402

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 90373303) is (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N/[S@](=O)C(C)(C)C)c1cccc(F)c1F.
What is the InChIKey of (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is PVXUJNHWWBQWLG-XYMPBJBSSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-8(15-17(16)12(2,3)4)9-6-5-7-10(13)11(9)14/h5-7H,1-4H3/b15-8-/t17-/m1/s1.
What are the key properties of (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-(2,3-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 (NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90373303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).