trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane

C13H23NO3SSi — CID 154222154

IUPACtrimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane
SMILESCO[Si](CCCSC(C)c1ccccn1)(OC)OC
InChIInChI=1S/C13H23NO3SSi/c1-12(13-8-5-6-9-14-13)18-10-7-11-19(15-2,16-3)17-4/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyUOXQKMBLHHDGMQ-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.14
Rot. Bonds9

About trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane

trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane (PubChem CID 154222154) has the molecular formula C13H23NO3SSi and a molecular weight of 301.48 g/mol. Its IUPAC name is trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane
PubChem CID154222154
Molecular FormulaC13H23NO3SSi
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC Nametrimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane
SMILESCO[Si](CCCSC(C)c1ccccn1)(OC)OC
InChIInChI=1S/C13H23NO3SSi/c1-12(13-8-5-6-9-14-13)18-10-7-11-19(15-2,16-3)17-4/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyUOXQKMBLHHDGMQ-UHFFFAOYSA-N
XLogP3.14
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
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

3-(1-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 71320210
2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
CID 15893453
2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride
CID 20980722
2-(1-phenylsulfanylethyl)pyridine
CID 10242398
2-pyridin-2-ylpropan-1-amine
CID 21481533
3-(4-methoxyphenoxy)-2-pyridin-2-ylpropan-1-amine
CID 112516627
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739
2-tridecan-6-ylpyridine
CID 139295924
trimethoxy-[3-(phenyldisulfanyl)propyl]silane
CID 14765025
2-(2-ethyl-1-methoxypentyl)pyridine
CID 144608669
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
2-(2-methoxy-1-methylsulfanylethyl)pyridine
CID 146229579

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane?
The IUPAC name of trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane (CID 154222154) is trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane?
The canonical SMILES for trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane is CO[Si](CCCSC(C)c1ccccn1)(OC)OC.
What is the InChIKey of trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane?
The InChIKey is UOXQKMBLHHDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3SSi/c1-12(13-8-5-6-9-14-13)18-10-7-11-19(15-2,16-3)17-4/h5-6,8-9,12H,7,10-11H2,1-4H3.
What are the key properties of trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane?
trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane has a molecular weight of 301.48 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(1-pyridin-2-ylethylsulfanyl)propyl]silane is sourced from PubChem (CID 154222154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).