(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide

C14H21NO2SSi — CID 10827733

IUPAC(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)/N=C/C=C/c1ccccc1
InChIInChI=1S/C14H21NO2SSi/c1-19(2,3)13-12-18(16,17)15-11-7-10-14-8-5-4-6-9-14/h4-11H,12-13H2,1-3H3/b10-7+,15-11+
InChIKeyKOHICQHELMAOQF-UNRYZTPYSA-N
MW295.48 g/mol
LogP3.44
Rot. Bonds6

About (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide

(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide (PubChem CID 10827733) has the molecular formula C14H21NO2SSi and a molecular weight of 295.48 g/mol. Its IUPAC name is (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide
PubChem CID10827733
Molecular FormulaC14H21NO2SSi
Molecular Weight295.48 g/mol
Exact Mass295.11
IUPAC Name(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)/N=C/C=C/c1ccccc1
InChIInChI=1S/C14H21NO2SSi/c1-19(2,3)13-12-18(16,17)15-11-7-10-14-8-5-4-6-9-14/h4-11H,12-13H2,1-3H3/b10-7+,15-11+
InChIKeyKOHICQHELMAOQF-UNRYZTPYSA-N
XLogP3.44
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-phenyl-2-propen-1-ylidene)methanesulfonohydrazide
CID 5333849
(NE)-N-benzylidene-1-phenylmethanesulfonamide
CID 9555243
(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide
CID 10825874
n-Benzylidenemethanesulfonamide
CID 11084533
(NE)-N-benzylidene-2-methylpropane-2-sulfonamide
CID 12176054
(E)-N-cinnamylidene-methanesulfonamide
CID 10774779
(NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide
CID 11141225
(NE,S)-2-methyl-N-[(E)-3-phenylprop-2-enylidene]propane-2-sulfinamide
CID 11310897
(NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide
CID 11311244
(NE,R)-2-methyl-N-[(E)-3-phenylprop-2-enylidene]propane-2-sulfinamide
CID 11333804
(NE)-2-methyl-N-[(E)-3-phenylprop-2-enylidene]propane-2-sulfinamide
CID 11521522
sodium (4-methylphenyl)sulfonyl-[(E)-[(E)-3-trimethylsilylprop-2-enylidene]amino]azanide
CID 12128161

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide?
The IUPAC name of (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide (CID 10827733) is (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide?
The canonical SMILES for (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide is C[Si](C)(C)CCS(=O)(=O)/N=C/C=C/c1ccccc1.
What is the InChIKey of (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide?
The InChIKey is KOHICQHELMAOQF-UNRYZTPYSA-N. The full InChI is InChI=1S/C14H21NO2SSi/c1-19(2,3)13-12-18(16,17)15-11-7-10-14-8-5-4-6-9-14/h4-11H,12-13H2,1-3H3/b10-7+,15-11+.
What are the key properties of (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide?
(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide has a molecular weight of 295.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 10827733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).