N-ethyl-N-methyl-1-methylsulfonylethanamine

C6H15NO2S — CID 173033603

IUPACN-ethyl-N-methyl-1-methylsulfonylethanamine
SMILESCCN(C)C(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5-7(3)6(2)10(4,8)9/h6H,5H2,1-4H3
InChIKeyWLDKNYFIBDOYBT-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.33
Rot. Bonds3

About N-ethyl-N-methyl-1-methylsulfonylethanamine

N-ethyl-N-methyl-1-methylsulfonylethanamine (PubChem CID 173033603) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-methylsulfonylethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-methylsulfonylethanamine
PubChem CID173033603
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-ethyl-N-methyl-1-methylsulfonylethanamine
SMILESCCN(C)C(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5-7(3)6(2)10(4,8)9/h6H,5H2,1-4H3
InChIKeyWLDKNYFIBDOYBT-UHFFFAOYSA-N
XLogP0.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-methylsulfonylethanamine?
The IUPAC name of N-ethyl-N-methyl-1-methylsulfonylethanamine (CID 173033603) is N-ethyl-N-methyl-1-methylsulfonylethanamine.
What is the SMILES notation for N-ethyl-N-methyl-1-methylsulfonylethanamine?
The canonical SMILES for N-ethyl-N-methyl-1-methylsulfonylethanamine is CCN(C)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-methyl-1-methylsulfonylethanamine?
The InChIKey is WLDKNYFIBDOYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5-7(3)6(2)10(4,8)9/h6H,5H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-1-methylsulfonylethanamine?
N-ethyl-N-methyl-1-methylsulfonylethanamine has a molecular weight of 165.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-methylsulfonylethanamine is sourced from PubChem (CID 173033603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).