1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide

C16H29NO5SSi — CID 68511239

IUPAC1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
SMILESCCO[Si](CCCNS(=O)(=O)Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C16H29NO5SSi/c1-4-20-24(21-5-2,22-6-3)14-10-13-17-23(18,19)15-16-11-8-7-9-12-16/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3
InChIKeyFHRRDWAWYIMLJW-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.54
Rot. Bonds13

About 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide

1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide (PubChem CID 68511239) has the molecular formula C16H29NO5SSi and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
PubChem CID68511239
Molecular FormulaC16H29NO5SSi
Molecular Weight375.56 g/mol
Exact Mass375.15
IUPAC Name1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
SMILESCCO[Si](CCCNS(=O)(=O)Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C16H29NO5SSi/c1-4-20-24(21-5-2,22-6-3)14-10-13-17-23(18,19)15-16-11-8-7-9-12-16/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3
InChIKeyFHRRDWAWYIMLJW-UHFFFAOYSA-N
XLogP2.54
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide
CID 68509639
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 22207231
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide (CID 68511239) is 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide is CCO[Si](CCCNS(=O)(=O)Cc1ccccc1)(OCC)OCC.
What is the InChIKey of 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide?
The InChIKey is FHRRDWAWYIMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5SSi/c1-4-20-24(21-5-2,22-6-3)14-10-13-17-23(18,19)15-16-11-8-7-9-12-16/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3.
What are the key properties of 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide?
1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide has a molecular weight of 375.56 g/mol, XLogP of 2.54, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide is sourced from PubChem (CID 68511239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).