(NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide

C13H21NO2SSi — CID 15778085

IUPAC(NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide
SMILESCc1ccc(/C=N/S(=O)(=O)CC[Si](C)(C)C)cc1
InChIInChI=1S/C13H21NO2SSi/c1-12-5-7-13(8-6-12)11-14-17(15,16)9-10-18(2,3)4/h5-8,11H,9-10H2,1-4H3/b14-11+
InChIKeyWOYCJTNUVMTRAA-SDNWHVSQSA-N
MW283.47 g/mol
LogP3.08
Rot. Bonds5

About (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide

(NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide (PubChem CID 15778085) has the molecular formula C13H21NO2SSi and a molecular weight of 283.47 g/mol. Its IUPAC name is (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide
PubChem CID15778085
Molecular FormulaC13H21NO2SSi
Molecular Weight283.47 g/mol
Exact Mass283.11
IUPAC Name(NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide
SMILESCc1ccc(/C=N/S(=O)(=O)CC[Si](C)(C)C)cc1
InChIInChI=1S/C13H21NO2SSi/c1-12-5-7-13(8-6-12)11-14-17(15,16)9-10-18(2,3)4/h5-8,11H,9-10H2,1-4H3/b14-11+
InChIKeyWOYCJTNUVMTRAA-SDNWHVSQSA-N
XLogP3.08
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.08
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

2-(Benzylideneamino)ethanesulfonamide
CID 45483186
2-(4-Tert-butylbenzylideneamino)ethanesulfonamide
CID 45483187
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide
CID 135035056
N-(4-Trifluoromethylbenzylidene)methanesulfonamide
CID 9581578
(NE)-N-benzylidene-1-phenylmethanesulfonamide
CID 9555243
(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide
CID 10825874
(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide
CID 10827733
N-(4-Methyl-benzylidene)-methanesulfonamide
CID 9581573
n-Benzylidenemethanesulfonamide
CID 11084533
(NE)-N-benzylidene-2-methylpropane-2-sulfonamide
CID 12176054
(R)-2-methyl-N-(4-methylbenzylidene)propane-2-sulfinamide
CID 12195523
(S)-2-methyl-N-(4-methylbenzylidene)propane-2-sulfinamide
CID 87750992

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide?
The IUPAC name of (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide (CID 15778085) is (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide?
The canonical SMILES for (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide is Cc1ccc(/C=N/S(=O)(=O)CC[Si](C)(C)C)cc1.
What is the InChIKey of (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide?
The InChIKey is WOYCJTNUVMTRAA-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H21NO2SSi/c1-12-5-7-13(8-6-12)11-14-17(15,16)9-10-18(2,3)4/h5-8,11H,9-10H2,1-4H3/b14-11+.
What are the key properties of (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide?
(NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide has a molecular weight of 283.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methylphenyl)methylidene]-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 15778085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).