2-(4-methylsulfonylphenoxy)ethanamine

C9H13NO3S — CID 43806902

IUPAC2-(4-methylsulfonylphenoxy)ethanamine
SMILESCS(=O)(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C9H13NO3S/c1-14(11,12)9-4-2-8(3-5-9)13-7-6-10/h2-5H,6-7,10H2,1H3
InChIKeyPBXVLTAMALBJHN-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.43
Rot. Bonds4

About 2-(4-methylsulfonylphenoxy)ethanamine

2-(4-methylsulfonylphenoxy)ethanamine (PubChem CID 43806902) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenoxy)ethanamine
PubChem CID43806902
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(4-methylsulfonylphenoxy)ethanamine
SMILESCS(=O)(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C9H13NO3S/c1-14(11,12)9-4-2-8(3-5-9)13-7-6-10/h2-5H,6-7,10H2,1H3
InChIKeyPBXVLTAMALBJHN-UHFFFAOYSA-N
XLogP0.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenoxy)ethanamine?
The IUPAC name of 2-(4-methylsulfonylphenoxy)ethanamine (CID 43806902) is 2-(4-methylsulfonylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-methylsulfonylphenoxy)ethanamine?
The canonical SMILES for 2-(4-methylsulfonylphenoxy)ethanamine is CS(=O)(=O)c1ccc(OCCN)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenoxy)ethanamine?
The InChIKey is PBXVLTAMALBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-14(11,12)9-4-2-8(3-5-9)13-7-6-10/h2-5H,6-7,10H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenoxy)ethanamine?
2-(4-methylsulfonylphenoxy)ethanamine has a molecular weight of 215.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenoxy)ethanamine is sourced from PubChem (CID 43806902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).