1-(4-ethylsulfonylphenyl)ethanamine

C10H15NO2S — CID 3909378

IUPAC1-(4-ethylsulfonylphenyl)ethanamine
SMILESCCS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C10H15NO2S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKeyPECBAIJATAJPMN-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.50
Rot. Bonds3

About 1-(4-ethylsulfonylphenyl)ethanamine

1-(4-ethylsulfonylphenyl)ethanamine (PubChem CID 3909378) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(4-ethylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfonylphenyl)ethanamine
PubChem CID3909378
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(4-ethylsulfonylphenyl)ethanamine
SMILESCCS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C10H15NO2S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKeyPECBAIJATAJPMN-UHFFFAOYSA-N
XLogP1.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylphenyl)ethanamine?
The IUPAC name of 1-(4-ethylsulfonylphenyl)ethanamine (CID 3909378) is 1-(4-ethylsulfonylphenyl)ethanamine.
What is the SMILES notation for 1-(4-ethylsulfonylphenyl)ethanamine?
The canonical SMILES for 1-(4-ethylsulfonylphenyl)ethanamine is CCS(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 1-(4-ethylsulfonylphenyl)ethanamine?
The InChIKey is PECBAIJATAJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-14(12,13)10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3.
What are the key properties of 1-(4-ethylsulfonylphenyl)ethanamine?
1-(4-ethylsulfonylphenyl)ethanamine has a molecular weight of 213.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylphenyl)ethanamine is sourced from PubChem (CID 3909378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).