N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide

C13H22N2O2S — CID 62003055

IUPACN-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)c1ccc(C)cc1C
InChIInChI=1S/C13H22N2O2S/c1-5-14-8-9-18(16,17)15(4)13-7-6-11(2)10-12(13)3/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyYDZCEQRGNAEGNI-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.68
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide

N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide (PubChem CID 62003055) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide
PubChem CID62003055
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)c1ccc(C)cc1C
InChIInChI=1S/C13H22N2O2S/c1-5-14-8-9-18(16,17)15(4)13-7-6-11(2)10-12(13)3/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyYDZCEQRGNAEGNI-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethylphenyl)-methylsulfamic acid
CID 19750978
N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
CID 115378312
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide
CID 62002110
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
CID 28793905
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
3-(N-ethylsulfonyl-2,4-dimethylanilino)propanoic acid
CID 28764970
N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 28770445
N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
CID 117036341
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
N,N-dimethyl-2-[(4-methylphenyl)methylamino]ethanesulfonamide
CID 106335849

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide (CID 62003055) is N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide is CCNCCS(=O)(=O)N(C)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide?
The InChIKey is YDZCEQRGNAEGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-14-8-9-18(16,17)15(4)13-7-6-11(2)10-12(13)3/h6-7,10,14H,5,8-9H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide?
N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide is sourced from PubChem (CID 62003055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).