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

C11H17NO3S — CID 64646771

IUPAC2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
SMILESCCS(=O)(=O)CC(N)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(13,14)8-11(12)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,12H2,1-2H3
InChIKeyFQJRHSYCBLDRCH-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.13
Rot. Bonds5

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

2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 64646771) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
PubChem CID64646771
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
SMILESCCS(=O)(=O)CC(N)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(13,14)8-11(12)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,12H2,1-2H3
InChIKeyFQJRHSYCBLDRCH-UHFFFAOYSA-N
XLogP1.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfonylacetate
CID 64676363
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
1-(3,4-dimethoxyphenyl)-2-ethylsulfonylethanamine
CID 64645587
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64639033
2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine
CID 64647290
2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64646414
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64674038
methyl 3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfonylpropanoate
CID 64673779
methyl 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfonylacetate
CID 64673981

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine (CID 64646771) is 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine is CCS(=O)(=O)CC(N)c1ccc(OC)cc1.
What is the InChIKey of 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is FQJRHSYCBLDRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-16(13,14)8-11(12)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,12H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine?
2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 243.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64646771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).