2-[methyl(2-methylsulfanylethyl)amino]ethanol

C6H15NOS — CID 112683472

IUPAC2-[methyl(2-methylsulfanylethyl)amino]ethanol
SMILESCSCCN(C)CCO
InChIInChI=1S/C6H15NOS/c1-7(3-5-8)4-6-9-2/h8H,3-6H2,1-2H3
InChIKeyISHQNYXOYSUGGQ-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.27
Rot. Bonds5

About 2-[methyl(2-methylsulfanylethyl)amino]ethanol

2-[methyl(2-methylsulfanylethyl)amino]ethanol (PubChem CID 112683472) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfanylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(2-methylsulfanylethyl)amino]ethanol
PubChem CID112683472
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-[methyl(2-methylsulfanylethyl)amino]ethanol
SMILESCSCCN(C)CCO
InChIInChI=1S/C6H15NOS/c1-7(3-5-8)4-6-9-2/h8H,3-6H2,1-2H3
InChIKeyISHQNYXOYSUGGQ-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(2-methylsulfanylethyl)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-[methyl(2-methylsulfanylethyl)amino]ethanol?
The IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]ethanol (CID 112683472) is 2-[methyl(2-methylsulfanylethyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(2-methylsulfanylethyl)amino]ethanol?
The canonical SMILES for 2-[methyl(2-methylsulfanylethyl)amino]ethanol is CSCCN(C)CCO.
What is the InChIKey of 2-[methyl(2-methylsulfanylethyl)amino]ethanol?
The InChIKey is ISHQNYXOYSUGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-7(3-5-8)4-6-9-2/h8H,3-6H2,1-2H3.
What are the key properties of 2-[methyl(2-methylsulfanylethyl)amino]ethanol?
2-[methyl(2-methylsulfanylethyl)amino]ethanol has a molecular weight of 149.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfanylethyl)amino]ethanol is sourced from PubChem (CID 112683472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).