(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide

C12H19NO2SSi — CID 10825874

IUPAC(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)/N=C/c1ccccc1
InChIInChI=1S/C12H19NO2SSi/c1-17(2,3)10-9-16(14,15)13-11-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/b13-11+
InChIKeyFSLVHQDOXBAKTM-ACCUITESSA-N
MW269.44 g/mol
LogP2.77
Rot. Bonds5

About (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide

(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide (PubChem CID 10825874) has the molecular formula C12H19NO2SSi and a molecular weight of 269.44 g/mol. Its IUPAC name is (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound Name(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide
PubChem CID10825874
Molecular FormulaC12H19NO2SSi
Molecular Weight269.44 g/mol
Exact Mass269.09
IUPAC Name(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)/N=C/c1ccccc1
InChIInChI=1S/C12H19NO2SSi/c1-17(2,3)10-9-16(14,15)13-11-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/b13-11+
InChIKeyFSLVHQDOXBAKTM-ACCUITESSA-N
XLogP2.77
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.77
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
(S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 68520932
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide
CID 135035056
Methanesulfonic acid, 2-[phenylmethylene]hydrazide
CID 6895714
N-(4-Fluorobenzylidene)methanesulfonamide
CID 9581565
(NE)-N-benzylidene-1-phenylmethanesulfonamide
CID 9555243
(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide
CID 10827733
N-(4-Methyl-benzylidene)-methanesulfonamide
CID 9581573
n-Benzylidenemethanesulfonamide
CID 11084533
(NE,S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 11106613
(R)-2-methyl-N-(phenylmethylidene)propane-2-sulfinamide
CID 11171822
(E)-N-Benzylidene-2-methylpropane-2-sulfinamide
CID 12176053

Frequently Asked Questions

What is the IUPAC name of (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide?
The IUPAC name of (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide (CID 10825874) is (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide?
The canonical SMILES for (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide is C[Si](C)(C)CCS(=O)(=O)/N=C/c1ccccc1.
What is the InChIKey of (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide?
The InChIKey is FSLVHQDOXBAKTM-ACCUITESSA-N. The full InChI is InChI=1S/C12H19NO2SSi/c1-17(2,3)10-9-16(14,15)13-11-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/b13-11+.
What are the key properties of (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide?
(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide has a molecular weight of 269.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-benzylidene-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 10825874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).