2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline

C14H23NO4S — CID 104568936

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
SMILESCOCCOCCOCCS(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H23NO4S/c1-12-3-4-13(15)14(11-12)20(16)10-9-19-8-7-18-6-5-17-2/h3-4,11H,5-10,15H2,1-2H3
InChIKeyLFDZIJDRZDETQJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.36
Rot. Bonds10

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline

2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline (PubChem CID 104568936) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
PubChem CID104568936
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
SMILESCOCCOCCOCCS(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H23NO4S/c1-12-3-4-13(15)14(11-12)20(16)10-9-19-8-7-18-6-5-17-2/h3-4,11H,5-10,15H2,1-2H3
InChIKeyLFDZIJDRZDETQJ-UHFFFAOYSA-N
XLogP1.36
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline (CID 104568936) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline is COCCOCCOCCS(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline?
The InChIKey is LFDZIJDRZDETQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-12-3-4-13(15)14(11-12)20(16)10-9-19-8-7-18-6-5-17-2/h3-4,11H,5-10,15H2,1-2H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline has a molecular weight of 301.41 g/mol, XLogP of 1.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline is sourced from PubChem (CID 104568936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).