N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide

C8H19NO5SSi — CID 87479214

IUPACN-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC[Si](OC)(OC)OC
InChIInChI=1S/C8H19NO5SSi/c1-5-7-15(10,11)9-6-8-16(12-2,13-3)14-4/h5,9H,1,6-8H2,2-4H3
InChIKeyLELUJZIFDBTNJD-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.03
Rot. Bonds9

About N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide

N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide (PubChem CID 87479214) has the molecular formula C8H19NO5SSi and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide
PubChem CID87479214
Molecular FormulaC8H19NO5SSi
Molecular Weight269.39 g/mol
Exact Mass269.08
IUPAC NameN-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC[Si](OC)(OC)OC
InChIInChI=1S/C8H19NO5SSi/c1-5-7-15(10,11)9-6-8-16(12-2,13-3)14-4/h5,9H,1,6-8H2,2-4H3
InChIKeyLELUJZIFDBTNJD-UHFFFAOYSA-N
XLogP-0.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide (CID 87479214) is N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCC[Si](OC)(OC)OC.
What is the InChIKey of N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide?
The InChIKey is LELUJZIFDBTNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5SSi/c1-5-7-15(10,11)9-6-8-16(12-2,13-3)14-4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide?
N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide has a molecular weight of 269.39 g/mol, XLogP of -0.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-trimethoxysilylethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 87479214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).