1-(4-methylsulfonylphenyl)ethanamine

C9H13NO2S — CID 2736900

IUPAC1-(4-methylsulfonylphenyl)ethanamine
SMILESCC(N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7H,10H2,1-2H3
InChIKeyXJAMLZUKCSRXAF-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.11
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)ethanamine

1-(4-methylsulfonylphenyl)ethanamine (PubChem CID 2736900) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)ethanamine
PubChem CID2736900
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name1-(4-methylsulfonylphenyl)ethanamine
SMILESCC(N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7H,10H2,1-2H3
InChIKeyXJAMLZUKCSRXAF-UHFFFAOYSA-N
XLogP1.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 1-(4-methylsulfonylphenyl)ethanamine (CID 2736900) is 1-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)ethanamine is CC(N)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is XJAMLZUKCSRXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7H,10H2,1-2H3.
What are the key properties of 1-(4-methylsulfonylphenyl)ethanamine?
1-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 199.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 2736900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).