1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine

C8H19NO2S — CID 66219952

IUPAC1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine
SMILESCOCCOCCSCC(C)N
InChIInChI=1S/C8H19NO2S/c1-8(9)7-12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3
InChIKeyFJPYVPVRQBAYEF-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.73
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine

1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine (PubChem CID 66219952) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine
PubChem CID66219952
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine
SMILESCOCCOCCSCC(C)N
InChIInChI=1S/C8H19NO2S/c1-8(9)7-12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3
InChIKeyFJPYVPVRQBAYEF-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine (CID 66219952) is 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine is COCCOCCSCC(C)N.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine?
The InChIKey is FJPYVPVRQBAYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(9)7-12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine?
1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine has a molecular weight of 193.31 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-amine is sourced from PubChem (CID 66219952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).