2-(2,2-diethoxyethylsulfanyl)ethanamine

C8H19NO2S — CID 54166534

IUPAC2-(2,2-diethoxyethylsulfanyl)ethanamine
SMILESCCOC(CSCCN)OCC
InChIInChI=1S/C8H19NO2S/c1-3-10-8(11-4-2)7-12-6-5-9/h8H,3-7,9H2,1-2H3
InChIKeyOSAMXASRTQAMLM-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.08
Rot. Bonds8

About 2-(2,2-diethoxyethylsulfanyl)ethanamine

2-(2,2-diethoxyethylsulfanyl)ethanamine (PubChem CID 54166534) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-diethoxyethylsulfanyl)ethanamine
PubChem CID54166534
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-(2,2-diethoxyethylsulfanyl)ethanamine
SMILESCCOC(CSCCN)OCC
InChIInChI=1S/C8H19NO2S/c1-3-10-8(11-4-2)7-12-6-5-9/h8H,3-7,9H2,1-2H3
InChIKeyOSAMXASRTQAMLM-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2,2-diethoxyethylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminoethylsulfanyl)butan-2-ol
CID 60884792
(2R)-2-amino-3-(3,3-diethoxypropylsulfanyl)propanoic acid
CID 54372830
2-(2,2-diethoxyethylsulfanyl)-2-methylpropane
CID 10998208
2-ethylsulfanylethanamine;hydrochloride
CID 3016870
3-(2-aminoethylsulfanyl)-2-methylpropane-1-thiol
CID 167028785
2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine
CID 107752284
2-(3-ethoxypropylsulfanyl)ethanamine
CID 65175244
2-[2-(2-aminoethoxy)-2-ethoxyethoxy]ethanamine
CID 175367490
1-(2-aminoethylsulfanyl)propane-2-sulfonic acid
CID 58599769
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine
CID 28918450
2,2-diethoxyethylsulfanyl-diethoxy-ethyl-λ4-sulfane
CID 53406314
1-(2-aminoethylsulfanyl)propan-2-ol;oxalic acid
CID 88837703

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylsulfanyl)ethanamine?
The IUPAC name of 2-(2,2-diethoxyethylsulfanyl)ethanamine (CID 54166534) is 2-(2,2-diethoxyethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2,2-diethoxyethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2,2-diethoxyethylsulfanyl)ethanamine is CCOC(CSCCN)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylsulfanyl)ethanamine?
The InChIKey is OSAMXASRTQAMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-10-8(11-4-2)7-12-6-5-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-(2,2-diethoxyethylsulfanyl)ethanamine?
2-(2,2-diethoxyethylsulfanyl)ethanamine has a molecular weight of 193.31 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylsulfanyl)ethanamine is sourced from PubChem (CID 54166534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).