N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide

C14H23NO2SSi — CID 102527691

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)NC1CCc2ccccc21
InChIInChI=1S/C14H23NO2SSi/c1-19(2,3)11-10-18(16,17)15-14-9-8-12-6-4-5-7-13(12)14/h4-7,14-15H,8-11H2,1-3H3
InChIKeyCYTUEEIKMWMNGO-UHFFFAOYSA-N
MW297.50 g/mol
LogP2.93
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide (PubChem CID 102527691) has the molecular formula C14H23NO2SSi and a molecular weight of 297.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide
PubChem CID102527691
Molecular FormulaC14H23NO2SSi
Molecular Weight297.50 g/mol
Exact Mass297.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)NC1CCc2ccccc21
InChIInChI=1S/C14H23NO2SSi/c1-19(2,3)11-10-18(16,17)15-14-9-8-12-6-4-5-7-13(12)14/h4-7,14-15H,8-11H2,1-3H3
InChIKeyCYTUEEIKMWMNGO-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide (CID 102527691) is N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide is C[Si](C)(C)CCS(=O)(=O)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide?
The InChIKey is CYTUEEIKMWMNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2SSi/c1-19(2,3)11-10-18(16,17)15-14-9-8-12-6-4-5-7-13(12)14/h4-7,14-15H,8-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide has a molecular weight of 297.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 102527691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).