2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide

C14H18F3NOS — CID 101156269

IUPAC2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NOS/c1-13(2,3)20(19)18-12(14(15,16)17)10-9-11-7-5-4-6-8-11/h4-10,12,18H,1-3H3/b10-9+/t12-,20?/m0/s1
InChIKeyLEHYRQXFRJOIBX-YAZNFJGTSA-N
MW305.37 g/mol
LogP3.68
Rot. Bonds4

About 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide

2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide (PubChem CID 101156269) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide
PubChem CID101156269
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NOS/c1-13(2,3)20(19)18-12(14(15,16)17)10-9-11-7-5-4-6-8-11/h4-10,12,18H,1-3H3/b10-9+/t12-,20?/m0/s1
InChIKeyLEHYRQXFRJOIBX-YAZNFJGTSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide with MolForge

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Related Compounds

2-methyl-N-[(E,1R)-1-[(1S,2S)-2-methyl-6-oxocyclohexyl]-3-phenylprop-2-enyl]propane-2-sulfinamide
CID 102423797
4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide
CID 11152440
(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide
CID 56954375
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
CID 58570968
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
(E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine
CID 102472225
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
(R)-N-[(1R)-1-fluoro-1-phenylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 67270473
N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
CID 121314661
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine
CID 134862077
tert-butyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate
CID 10955879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide (CID 101156269) is 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide?
The InChIKey is LEHYRQXFRJOIBX-YAZNFJGTSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-13(2,3)20(19)18-12(14(15,16)17)10-9-11-7-5-4-6-8-11/h4-10,12,18H,1-3H3/b10-9+/t12-,20?/m0/s1.
What are the key properties of 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide?
2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide has a molecular weight of 305.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 101156269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).