2-ethenylsulfonylethanamine

C4H9NO2S — CID 19078139

IUPAC2-ethenylsulfonylethanamine
SMILESC=CS(=O)(=O)CCN
InChIInChI=1S/C4H9NO2S/c1-2-8(6,7)4-3-5/h2H,1,3-5H2
InChIKeyVKHFJWGJEUDKBG-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.50
Rot. Bonds3

About 2-ethenylsulfonylethanamine

2-ethenylsulfonylethanamine (PubChem CID 19078139) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 2-ethenylsulfonylethanamine.

Molecular Properties

Compound Name2-ethenylsulfonylethanamine
PubChem CID19078139
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name2-ethenylsulfonylethanamine
SMILESC=CS(=O)(=O)CCN
InChIInChI=1S/C4H9NO2S/c1-2-8(6,7)4-3-5/h2H,1,3-5H2
InChIKeyVKHFJWGJEUDKBG-UHFFFAOYSA-N
XLogP-0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylethanamine?
The IUPAC name of 2-ethenylsulfonylethanamine (CID 19078139) is 2-ethenylsulfonylethanamine.
What is the SMILES notation for 2-ethenylsulfonylethanamine?
The canonical SMILES for 2-ethenylsulfonylethanamine is C=CS(=O)(=O)CCN.
What is the InChIKey of 2-ethenylsulfonylethanamine?
The InChIKey is VKHFJWGJEUDKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-2-8(6,7)4-3-5/h2H,1,3-5H2.
What are the key properties of 2-ethenylsulfonylethanamine?
2-ethenylsulfonylethanamine has a molecular weight of 135.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylethanamine is sourced from PubChem (CID 19078139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).