2-ethylsulfonylethanamine

C4H11NO2S — CID 21217861

IUPAC2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CCN
InChIInChI=1S/C4H11NO2S/c1-2-8(6,7)4-3-5/h2-5H2,1H3
InChIKeyJMCWLZFPCMLCBV-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.62
Rot. Bonds3

About 2-ethylsulfonylethanamine

2-ethylsulfonylethanamine (PubChem CID 21217861) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 2-ethylsulfonylethanamine.

Molecular Properties

Compound Name2-ethylsulfonylethanamine
PubChem CID21217861
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CCN
InChIInChI=1S/C4H11NO2S/c1-2-8(6,7)4-3-5/h2-5H2,1H3
InChIKeyJMCWLZFPCMLCBV-UHFFFAOYSA-N
XLogP-0.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylethanamine?
The IUPAC name of 2-ethylsulfonylethanamine (CID 21217861) is 2-ethylsulfonylethanamine.
What is the SMILES notation for 2-ethylsulfonylethanamine?
The canonical SMILES for 2-ethylsulfonylethanamine is CCS(=O)(=O)CCN.
What is the InChIKey of 2-ethylsulfonylethanamine?
The InChIKey is JMCWLZFPCMLCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-2-8(6,7)4-3-5/h2-5H2,1H3.
What are the key properties of 2-ethylsulfonylethanamine?
2-ethylsulfonylethanamine has a molecular weight of 137.20 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylethanamine is sourced from PubChem (CID 21217861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).