1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine

C14H23NO2S — CID 54932076

IUPAC1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO2S/c1-4-12-6-8-13(9-7-12)14(5-2)15-10-11-18(3,16)17/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyXQHAVWZCEPSYRB-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.33
Rot. Bonds7

About 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine

1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine (PubChem CID 54932076) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
PubChem CID54932076
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO2S/c1-4-12-6-8-13(9-7-12)14(5-2)15-10-11-18(3,16)17/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyXQHAVWZCEPSYRB-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105197317
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
N-[1-(4-ethylphenyl)propyl]-3-methylsulfinylbutan-1-amine
CID 115894514
1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60923581
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine
CID 43309958
3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
CID 60714061
N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54936865
1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
CID 63453795

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine (CID 54932076) is 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine is CCc1ccc(C(CC)NCCS(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine?
The InChIKey is XQHAVWZCEPSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-12-6-8-13(9-7-12)14(5-2)15-10-11-18(3,16)17/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine?
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 54932076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).