2-[ethylsulfanylmethyl(methyl)amino]ethanol

C6H15NOS — CID 89002038

IUPAC2-[ethylsulfanylmethyl(methyl)amino]ethanol
SMILESCCSCN(C)CCO
InChIInChI=1S/C6H15NOS/c1-3-9-6-7(2)4-5-8/h8H,3-6H2,1-2H3
InChIKeyITKGUQJSTBDYSP-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.62
Rot. Bonds5

About 2-[ethylsulfanylmethyl(methyl)amino]ethanol

2-[ethylsulfanylmethyl(methyl)amino]ethanol (PubChem CID 89002038) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-[ethylsulfanylmethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethylsulfanylmethyl(methyl)amino]ethanol
PubChem CID89002038
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-[ethylsulfanylmethyl(methyl)amino]ethanol
SMILESCCSCN(C)CCO
InChIInChI=1S/C6H15NOS/c1-3-9-6-7(2)4-5-8/h8H,3-6H2,1-2H3
InChIKeyITKGUQJSTBDYSP-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethylsulfanylmethyl(methyl)amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfanylmethyl(methyl)amino]ethanol?
The IUPAC name of 2-[ethylsulfanylmethyl(methyl)amino]ethanol (CID 89002038) is 2-[ethylsulfanylmethyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[ethylsulfanylmethyl(methyl)amino]ethanol?
The canonical SMILES for 2-[ethylsulfanylmethyl(methyl)amino]ethanol is CCSCN(C)CCO.
What is the InChIKey of 2-[ethylsulfanylmethyl(methyl)amino]ethanol?
The InChIKey is ITKGUQJSTBDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-3-9-6-7(2)4-5-8/h8H,3-6H2,1-2H3.
What are the key properties of 2-[ethylsulfanylmethyl(methyl)amino]ethanol?
2-[ethylsulfanylmethyl(methyl)amino]ethanol has a molecular weight of 149.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfanylmethyl(methyl)amino]ethanol is sourced from PubChem (CID 89002038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).