2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide

C14H24N2O2S — CID 103901958

IUPAC2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-16-19(17,18)9-8-15-13(4)14-7-6-11(2)12(3)10-14/h6-7,10,13,15-16H,5,8-9H2,1-4H3
InChIKeyIPKWWLQBQZPHMI-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.89
Rot. Bonds7

About 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide

2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide (PubChem CID 103901958) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
PubChem CID103901958
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-16-19(17,18)9-8-15-13(4)14-7-6-11(2)12(3)10-14/h6-7,10,13,15-16H,5,8-9H2,1-4H3
InChIKeyIPKWWLQBQZPHMI-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901899
2-[1-(2,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901862
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
CID 103716956
N-ethyl-2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethanesulfonamide
CID 103901999
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine
CID 115718870
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
CID 102676134
N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide
CID 106334491
1-(3,4-dimethylphenyl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 64683038
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide (CID 103901958) is 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide?
The InChIKey is IPKWWLQBQZPHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16-19(17,18)9-8-15-13(4)14-7-6-11(2)12(3)10-14/h6-7,10,13,15-16H,5,8-9H2,1-4H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide?
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide is sourced from PubChem (CID 103901958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).