2-ethenylsulfonylethanamine;hydrochloride

C4H10ClNO2S — CID 142742649

IUPAC2-ethenylsulfonylethanamine;hydrochloride
SMILESC=CS(=O)(=O)CCN.Cl
InChIInChI=1S/C4H9NO2S.ClH/c1-2-8(6,7)4-3-5;/h2H,1,3-5H2;1H
InChIKeyMOVMLXJTMOYHCI-UHFFFAOYSA-N
MW171.65 g/mol
LogP-0.07
Rot. Bonds3

About 2-ethenylsulfonylethanamine;hydrochloride

2-ethenylsulfonylethanamine;hydrochloride (PubChem CID 142742649) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 2-ethenylsulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-ethenylsulfonylethanamine;hydrochloride
PubChem CID142742649
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name2-ethenylsulfonylethanamine;hydrochloride
SMILESC=CS(=O)(=O)CCN.Cl
InChIInChI=1S/C4H9NO2S.ClH/c1-2-8(6,7)4-3-5;/h2H,1,3-5H2;1H
InChIKeyMOVMLXJTMOYHCI-UHFFFAOYSA-N
XLogP-0.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanamine, 2-(methylsulfonyl)-, hydrochloride (1:1)
CID 17749886
3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
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3-ethenylsulfonyl-N-fluoropropan-1-amine
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2-(Ethenesulfonyl)ethan-1-amine
CID 19078139
3-Ethenylsulfonylpropan-1-amine
CID 19078170
4-Ethenylsulfonylbutan-1-amine
CID 19792574
2-(Ethylsulfonyl)ethanamine hydrochloride
CID 23061927
2-ethenylsulfonyl-N-methylethanamine
CID 53660641
N-chloro-3-ethenylsulfonylpropan-1-amine
CID 54081651
2-(Dideuteriomethylsulfonyl)ethanamine;hydrochloride
CID 87244775
2-Ethenylsulfonylpropan-1-amine
CID 87997872
2,2-Bis(ethenylsulfonyl)ethanamine
CID 88364664

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylethanamine;hydrochloride?
The IUPAC name of 2-ethenylsulfonylethanamine;hydrochloride (CID 142742649) is 2-ethenylsulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-ethenylsulfonylethanamine;hydrochloride?
The canonical SMILES for 2-ethenylsulfonylethanamine;hydrochloride is C=CS(=O)(=O)CCN.Cl.
What is the InChIKey of 2-ethenylsulfonylethanamine;hydrochloride?
The InChIKey is MOVMLXJTMOYHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.ClH/c1-2-8(6,7)4-3-5;/h2H,1,3-5H2;1H.
What are the key properties of 2-ethenylsulfonylethanamine;hydrochloride?
2-ethenylsulfonylethanamine;hydrochloride has a molecular weight of 171.65 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylethanamine;hydrochloride is sourced from PubChem (CID 142742649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).