ethanamine;sulfur trioxide

C2H7NO3S — CID 88694918

IUPACethanamine;sulfur trioxide
SMILESCCN.O=S(=O)=O
InChIInChI=1S/C2H7N.O3S/c1-2-3;1-4(2)3/h2-3H2,1H3;
InChIKeyWENIMZLNEATVAN-UHFFFAOYSA-N
MW125.15 g/mol
LogP-1.04
Rot. Bonds

About ethanamine;sulfur trioxide

ethanamine;sulfur trioxide (PubChem CID 88694918) has the molecular formula C2H7NO3S and a molecular weight of 125.15 g/mol. Its IUPAC name is ethanamine;sulfur trioxide.

Molecular Properties

Compound Nameethanamine;sulfur trioxide
PubChem CID88694918
Molecular FormulaC2H7NO3S
Molecular Weight125.15 g/mol
Exact Mass125.01
IUPAC Nameethanamine;sulfur trioxide
SMILESCCN.O=S(=O)=O
InChIInChI=1S/C2H7N.O3S/c1-2-3;1-4(2)3/h2-3H2,1H3;
InChIKeyWENIMZLNEATVAN-UHFFFAOYSA-N
XLogP-1.04
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethanamine;sulfur trioxide?
The IUPAC name of ethanamine;sulfur trioxide (CID 88694918) is ethanamine;sulfur trioxide.
What is the SMILES notation for ethanamine;sulfur trioxide?
The canonical SMILES for ethanamine;sulfur trioxide is CCN.O=S(=O)=O.
What is the InChIKey of ethanamine;sulfur trioxide?
The InChIKey is WENIMZLNEATVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.O3S/c1-2-3;1-4(2)3/h2-3H2,1H3;.
What are the key properties of ethanamine;sulfur trioxide?
ethanamine;sulfur trioxide has a molecular weight of 125.15 g/mol, XLogP of -1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;sulfur trioxide is sourced from PubChem (CID 88694918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).