1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide

C15H27NO5SSi — CID 68509639

IUPAC1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide
SMILESCCO[Si](CCNS(=O)(=O)Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C15H27NO5SSi/c1-4-19-23(20-5-2,21-6-3)13-12-16-22(17,18)14-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3
InChIKeyVYEKWHUEJKHVAY-UHFFFAOYSA-N
MW361.54 g/mol
LogP2.15
Rot. Bonds12

About 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide

1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide (PubChem CID 68509639) has the molecular formula C15H27NO5SSi and a molecular weight of 361.54 g/mol. Its IUPAC name is 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide
PubChem CID68509639
Molecular FormulaC15H27NO5SSi
Molecular Weight361.54 g/mol
Exact Mass361.14
IUPAC Name1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide
SMILESCCO[Si](CCNS(=O)(=O)Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C15H27NO5SSi/c1-4-19-23(20-5-2,21-6-3)13-12-16-22(17,18)14-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3
InChIKeyVYEKWHUEJKHVAY-UHFFFAOYSA-N
XLogP2.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
CID 68511239
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide (CID 68509639) is 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide is CCO[Si](CCNS(=O)(=O)Cc1ccccc1)(OCC)OCC.
What is the InChIKey of 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide?
The InChIKey is VYEKWHUEJKHVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5SSi/c1-4-19-23(20-5-2,21-6-3)13-12-16-22(17,18)14-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3.
What are the key properties of 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide?
1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide has a molecular weight of 361.54 g/mol, XLogP of 2.15, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide is sourced from PubChem (CID 68509639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).