2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane

C15H23N3O3SSi — CID 170992405

IUPAC2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc(CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H23N3O3SSi/c1-23(2,3)10-9-21-13-18-16-11-14(17-18)12-22(19,20)15-7-5-4-6-8-15/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyAYSLZKUBMDLYGR-UHFFFAOYSA-N
MW353.52 g/mol
LogP2.56
Rot. Bonds8

About 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 170992405) has the molecular formula C15H23N3O3SSi and a molecular weight of 353.52 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID170992405
Molecular FormulaC15H23N3O3SSi
Molecular Weight353.52 g/mol
Exact Mass353.12
IUPAC Name2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc(CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H23N3O3SSi/c1-23(2,3)10-9-21-13-18-16-11-14(17-18)12-22(19,20)15-7-5-4-6-8-15/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyAYSLZKUBMDLYGR-UHFFFAOYSA-N
XLogP2.56
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.52
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate
CID 123264105
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
2-[[5-(benzenesulfonyl)-3-bromo-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153356807
2-[[3-bromo-5-(phenylsulfonimidoyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153357237
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135064926
2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123351166
trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 168730347
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
3-trimethylsilylpropyl benzenesulfonate
CID 21102851

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane (CID 170992405) is 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc(CS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AYSLZKUBMDLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3SSi/c1-23(2,3)10-9-21-13-18-16-11-14(17-18)12-22(19,20)15-7-5-4-6-8-15/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 353.52 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 170992405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).