2-(2-methylsulfonylphenyl)ethanamine;hydrochloride

C9H14ClNO2S — CID 86222883

IUPAC2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
SMILESCS(=O)(=O)c1ccccc1CCN.Cl
InChIInChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-5-3-2-4-8(9)6-7-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyAKJMIXJXYCPBIH-UHFFFAOYSA-N
MW235.74 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride

2-(2-methylsulfonylphenyl)ethanamine;hydrochloride (PubChem CID 86222883) has the molecular formula C9H14ClNO2S and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
PubChem CID86222883
Molecular FormulaC9H14ClNO2S
Molecular Weight235.74 g/mol
Exact Mass235.04
IUPAC Name2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
SMILESCS(=O)(=O)c1ccccc1CCN.Cl
InChIInChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-5-3-2-4-8(9)6-7-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyAKJMIXJXYCPBIH-UHFFFAOYSA-N
XLogP1.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride (CID 86222883) is 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride is CS(=O)(=O)c1ccccc1CCN.Cl.
What is the InChIKey of 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride?
The InChIKey is AKJMIXJXYCPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-5-3-2-4-8(9)6-7-10;/h2-5H,6-7,10H2,1H3;1H.
What are the key properties of 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride?
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride has a molecular weight of 235.74 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 86222883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).