2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol

C6H15NO2S — CID 64821492

IUPAC2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol
SMILESCOCCSCC(N)CO
InChIInChI=1S/C6H15NO2S/c1-9-2-3-10-5-6(7)4-8/h6,8H,2-5,7H2,1H3
InChIKeyKSPDTNBIEUVRGU-UHFFFAOYSA-N
MW165.26 g/mol
LogP-0.31
Rot. Bonds6

About 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol

2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol (PubChem CID 64821492) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol
PubChem CID64821492
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol
SMILESCOCCSCC(N)CO
InChIInChI=1S/C6H15NO2S/c1-9-2-3-10-5-6(7)4-8/h6,8H,2-5,7H2,1H3
InChIKeyKSPDTNBIEUVRGU-UHFFFAOYSA-N
XLogP-0.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol 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

(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
CID 104889147
2-amino-3-(2-methylsulfanylethylsulfanyl)propan-1-ol
CID 130663716
3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
CID 79682128
3-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropan-1-ol
CID 66105162
N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide
CID 43446125
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethanamine
CID 64609924
3-hydroxy-4-(2-methoxyethylsulfanyl)butanoic acid
CID 82775924
1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine
CID 103180189
3,3,3-trifluoro-2-(2-methoxyethylsulfanylmethyl)propan-1-amine
CID 103371615
1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol
CID 62264556

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol (CID 64821492) is 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol is COCCSCC(N)CO.
What is the InChIKey of 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol?
The InChIKey is KSPDTNBIEUVRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-9-2-3-10-5-6(7)4-8/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol?
2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol has a molecular weight of 165.26 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol is sourced from PubChem (CID 64821492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).