N-(2-trimethoxysilylethyl)octane-1-sulfonamide

C13H31NO5SSi — CID 86158563

IUPACN-(2-trimethoxysilylethyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)NCC[Si](OC)(OC)OC
InChIInChI=1S/C13H31NO5SSi/c1-5-6-7-8-9-10-12-20(15,16)14-11-13-21(17-2,18-3)19-4/h14H,5-13H2,1-4H3
InChIKeyMHMAWNAOKJEBJD-UHFFFAOYSA-N
MW341.55 g/mol
LogP2.14
Rot. Bonds14

About N-(2-trimethoxysilylethyl)octane-1-sulfonamide

N-(2-trimethoxysilylethyl)octane-1-sulfonamide (PubChem CID 86158563) has the molecular formula C13H31NO5SSi and a molecular weight of 341.55 g/mol. Its IUPAC name is N-(2-trimethoxysilylethyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-trimethoxysilylethyl)octane-1-sulfonamide
PubChem CID86158563
Molecular FormulaC13H31NO5SSi
Molecular Weight341.55 g/mol
Exact Mass341.17
IUPAC NameN-(2-trimethoxysilylethyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)NCC[Si](OC)(OC)OC
InChIInChI=1S/C13H31NO5SSi/c1-5-6-7-8-9-10-12-20(15,16)14-11-13-21(17-2,18-3)19-4/h14H,5-13H2,1-4H3
InChIKeyMHMAWNAOKJEBJD-UHFFFAOYSA-N
XLogP2.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.55
LogP ≤ 52.14
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

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CID 19681427
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CID 171981376
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CID 88827291
2-(decylsulfonylamino)ethylcarbamic acid
CID 90012721
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-(2-trimethoxysilylethyl)hexan-1-amine
CID 87738268
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate
CID 99802832
sodium 3-(heptadecylsulfonylamino)propanoate
CID 101284824
potassium 3-(dodecylsulfonylamino)propanoate
CID 101285229
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852

Frequently Asked Questions

What is the IUPAC name of N-(2-trimethoxysilylethyl)octane-1-sulfonamide?
The IUPAC name of N-(2-trimethoxysilylethyl)octane-1-sulfonamide (CID 86158563) is N-(2-trimethoxysilylethyl)octane-1-sulfonamide.
What is the SMILES notation for N-(2-trimethoxysilylethyl)octane-1-sulfonamide?
The canonical SMILES for N-(2-trimethoxysilylethyl)octane-1-sulfonamide is CCCCCCCCS(=O)(=O)NCC[Si](OC)(OC)OC.
What is the InChIKey of N-(2-trimethoxysilylethyl)octane-1-sulfonamide?
The InChIKey is MHMAWNAOKJEBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO5SSi/c1-5-6-7-8-9-10-12-20(15,16)14-11-13-21(17-2,18-3)19-4/h14H,5-13H2,1-4H3.
What are the key properties of N-(2-trimethoxysilylethyl)octane-1-sulfonamide?
N-(2-trimethoxysilylethyl)octane-1-sulfonamide has a molecular weight of 341.55 g/mol, XLogP of 2.14, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-trimethoxysilylethyl)octane-1-sulfonamide is sourced from PubChem (CID 86158563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).