3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine

C15H35NO5SSi — CID 174661627

IUPAC3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine
SMILESCCCCCCS(=O)(=O)C(C)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C15H35NO5SSi/c1-5-8-9-10-13-22(17,18)15(4)21-23(19-6-2,20-7-3)14-11-12-16/h15H,5-14,16H2,1-4H3
InChIKeyYNCOTWQYYGZVAP-UHFFFAOYSA-N
MW369.60 g/mol
LogP2.70
Rot. Bonds15

About 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine

3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine (PubChem CID 174661627) has the molecular formula C15H35NO5SSi and a molecular weight of 369.60 g/mol. Its IUPAC name is 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine
PubChem CID174661627
Molecular FormulaC15H35NO5SSi
Molecular Weight369.60 g/mol
Exact Mass369.20
IUPAC Name3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine
SMILESCCCCCCS(=O)(=O)C(C)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C15H35NO5SSi/c1-5-8-9-10-13-22(17,18)15(4)21-23(19-6-2,20-7-3)14-11-12-16/h15H,5-14,16H2,1-4H3
InChIKeyYNCOTWQYYGZVAP-UHFFFAOYSA-N
XLogP2.70
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine
CID 141368865
diethoxy-octyl-pentadecan-2-yloxysilane
CID 150899900
triethoxy(henicosyl)silane
CID 141362894
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
silane;triethoxy(tetradecyl)silane
CID 161365398
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
1-propan-2-ylsulfonylhexane
CID 59079246
1-triethoxysilylheptan-2-amine
CID 90410833

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine?
The IUPAC name of 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine (CID 174661627) is 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine.
What is the SMILES notation for 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine?
The canonical SMILES for 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine is CCCCCCS(=O)(=O)C(C)O[Si](CCCN)(OCC)OCC.
What is the InChIKey of 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine?
The InChIKey is YNCOTWQYYGZVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35NO5SSi/c1-5-8-9-10-13-22(17,18)15(4)21-23(19-6-2,20-7-3)14-11-12-16/h15H,5-14,16H2,1-4H3.
What are the key properties of 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine?
3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine has a molecular weight of 369.60 g/mol, XLogP of 2.70, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine is sourced from PubChem (CID 174661627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).