2-ethylsulfonyl-1-(4-methylphenyl)ethanamine

C11H17NO2S — CID 64646967

IUPAC2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
SMILESCCS(=O)(=O)CC(N)c1ccc(C)cc1
InChIInChI=1S/C11H17NO2S/c1-3-15(13,14)8-11(12)10-6-4-9(2)5-7-10/h4-7,11H,3,8,12H2,1-2H3
InChIKeyLBMCKQGZVJHRQW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.43
Rot. Bonds4

About 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine

2-ethylsulfonyl-1-(4-methylphenyl)ethanamine (PubChem CID 64646967) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
PubChem CID64646967
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
SMILESCCS(=O)(=O)CC(N)c1ccc(C)cc1
InChIInChI=1S/C11H17NO2S/c1-3-15(13,14)8-11(12)10-6-4-9(2)5-7-10/h4-7,11H,3,8,12H2,1-2H3
InChIKeyLBMCKQGZVJHRQW-UHFFFAOYSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
1-(3,4-dimethoxyphenyl)-2-ethylsulfonylethanamine
CID 64645587
ethyl 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfonylacetate
CID 64676363
3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;hydrochloride
CID 86263009
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64675130
2-ethylsulfonyl-1-(4-methylphenyl)butan-1-amine
CID 102551038
2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64646414
(1S)-3,3-difluoro-1-(4-methylphenyl)propan-1-amine
CID 131389625

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine (CID 64646967) is 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine is CCS(=O)(=O)CC(N)c1ccc(C)cc1.
What is the InChIKey of 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine?
The InChIKey is LBMCKQGZVJHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-15(13,14)8-11(12)10-6-4-9(2)5-7-10/h4-7,11H,3,8,12H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine?
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64646967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).