2-ethylsulfonylethanamine;hydrochloride

C4H12ClNO2S — CID 23061927

IUPAC2-ethylsulfonylethanamine;hydrochloride
SMILESCCS(=O)(=O)CCN.Cl
InChIInChI=1S/C4H11NO2S.ClH/c1-2-8(6,7)4-3-5;/h2-5H2,1H3;1H
InChIKeyJJVIKHZHHSAENR-UHFFFAOYSA-N
MW173.66 g/mol
LogP-0.20
Rot. Bonds3

About 2-ethylsulfonylethanamine;hydrochloride

2-ethylsulfonylethanamine;hydrochloride (PubChem CID 23061927) has the molecular formula C4H12ClNO2S and a molecular weight of 173.66 g/mol. Its IUPAC name is 2-ethylsulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfonylethanamine;hydrochloride
PubChem CID23061927
Molecular FormulaC4H12ClNO2S
Molecular Weight173.66 g/mol
Exact Mass173.03
IUPAC Name2-ethylsulfonylethanamine;hydrochloride
SMILESCCS(=O)(=O)CCN.Cl
InChIInChI=1S/C4H11NO2S.ClH/c1-2-8(6,7)4-3-5;/h2-5H2,1H3;1H
InChIKeyJJVIKHZHHSAENR-UHFFFAOYSA-N
XLogP-0.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.66
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylethanamine;hydrochloride?
The IUPAC name of 2-ethylsulfonylethanamine;hydrochloride (CID 23061927) is 2-ethylsulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-ethylsulfonylethanamine;hydrochloride?
The canonical SMILES for 2-ethylsulfonylethanamine;hydrochloride is CCS(=O)(=O)CCN.Cl.
What is the InChIKey of 2-ethylsulfonylethanamine;hydrochloride?
The InChIKey is JJVIKHZHHSAENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S.ClH/c1-2-8(6,7)4-3-5;/h2-5H2,1H3;1H.
What are the key properties of 2-ethylsulfonylethanamine;hydrochloride?
2-ethylsulfonylethanamine;hydrochloride has a molecular weight of 173.66 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylethanamine;hydrochloride is sourced from PubChem (CID 23061927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).