trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane

C16H35NO2SSi — CID 10592780

IUPACtrimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane
SMILESCCCCCCCCCC1CN1S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C16H35NO2SSi/c1-5-6-7-8-9-10-11-12-16-15-17(16)20(18,19)13-14-21(2,3)4/h16H,5-15H2,1-4H3
InChIKeyXUHLEVZTKSSPIL-UHFFFAOYSA-N
MW333.61 g/mol
LogP4.48
Rot. Bonds12

About trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane

trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane (PubChem CID 10592780) has the molecular formula C16H35NO2SSi and a molecular weight of 333.61 g/mol. Its IUPAC name is trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane
PubChem CID10592780
Molecular FormulaC16H35NO2SSi
Molecular Weight333.61 g/mol
Exact Mass333.22
IUPAC Nametrimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane
SMILESCCCCCCCCCC1CN1S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C16H35NO2SSi/c1-5-6-7-8-9-10-11-12-16-15-17(16)20(18,19)13-14-21(2,3)4/h16H,5-15H2,1-4H3
InChIKeyXUHLEVZTKSSPIL-UHFFFAOYSA-N
XLogP4.48
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane?
The IUPAC name of trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane (CID 10592780) is trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane.
What is the SMILES notation for trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane?
The canonical SMILES for trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane is CCCCCCCCCC1CN1S(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane?
The InChIKey is XUHLEVZTKSSPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2SSi/c1-5-6-7-8-9-10-11-12-16-15-17(16)20(18,19)13-14-21(2,3)4/h16H,5-15H2,1-4H3.
What are the key properties of trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane?
trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane has a molecular weight of 333.61 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-nonylaziridin-1-yl)sulfonylethyl]silane is sourced from PubChem (CID 10592780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).