2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine

C8H20N2OS2 — CID 15344381

IUPAC2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine
SMILESNCCSCCOCCSCCN
InChIInChI=1S/C8H20N2OS2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h1-10H2
InChIKeyMXPLXOGTKNCQCW-UHFFFAOYSA-N
MW224.39 g/mol
LogP0.39
Rot. Bonds10

About 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine

2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine (PubChem CID 15344381) has the molecular formula C8H20N2OS2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine
PubChem CID15344381
Molecular FormulaC8H20N2OS2
Molecular Weight224.39 g/mol
Exact Mass224.10
IUPAC Name2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine
SMILESNCCSCCOCCSCCN
InChIInChI=1S/C8H20N2OS2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h1-10H2
InChIKeyMXPLXOGTKNCQCW-UHFFFAOYSA-N
XLogP0.39
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine?
The IUPAC name of 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine (CID 15344381) is 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine.
What is the SMILES notation for 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine?
The canonical SMILES for 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine is NCCSCCOCCSCCN.
What is the InChIKey of 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine?
The InChIKey is MXPLXOGTKNCQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2OS2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h1-10H2.
What are the key properties of 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine?
2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine has a molecular weight of 224.39 g/mol, XLogP of 0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine is sourced from PubChem (CID 15344381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).