(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide

C12H14F3NOS — CID 11637674

IUPAC(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3NOS/c1-11(2,3)18(17)16-10(12(13,14)15)9-7-5-4-6-8-9/h4-8H,1-3H3/b16-10+/t18-/m1/s1
InChIKeyAWXLZIPEFCRBKW-GANRHZMWSA-N
MW277.31 g/mol
LogP3.50
Rot. Bonds2

About (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide

(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide (PubChem CID 11637674) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
PubChem CID11637674
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3NOS/c1-11(2,3)18(17)16-10(12(13,14)15)9-7-5-4-6-8-9/h4-8H,1-3H3/b16-10+/t18-/m1/s1
InChIKeyAWXLZIPEFCRBKW-GANRHZMWSA-N
XLogP3.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.50
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

[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
4-(4-Fluorophenyl)dithiazole-5-thione
CID 44569470
(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
1,1-diphenyl-N-(trifluoromethylsulfanyl)methanimine
CID 101895384
(NE,R)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]propane-2-sulfinamide
CID 11208178
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 17748530

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide (CID 11637674) is (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C(\c1ccccc1)C(F)(F)F.
What is the InChIKey of (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide?
The InChIKey is AWXLZIPEFCRBKW-GANRHZMWSA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-11(2,3)18(17)16-10(12(13,14)15)9-7-5-4-6-8-9/h4-8H,1-3H3/b16-10+/t18-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide?
(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide has a molecular weight of 277.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide is sourced from PubChem (CID 11637674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).