N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide

C13H22N2O2S — CID 28770445

IUPACN-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCN)c1ccc(C)cc1C
InChIInChI=1S/C13H22N2O2S/c1-4-9-18(16,17)15(8-7-14)13-6-5-11(2)10-12(13)3/h5-6,10H,4,7-9,14H2,1-3H3
InChIKeyVMNGNFKHUQNOFJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.81
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide

N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide (PubChem CID 28770445) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide
PubChem CID28770445
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCN)c1ccc(C)cc1C
InChIInChI=1S/C13H22N2O2S/c1-4-9-18(16,17)15(8-7-14)13-6-5-11(2)10-12(13)3/h5-6,10H,4,7-9,14H2,1-3H3
InChIKeyVMNGNFKHUQNOFJ-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-ethylsulfonyl-2,4-dimethylanilino)propanoic acid
CID 28764970
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068823
N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide
CID 63767520
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide
CID 28769588
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
ethyl 2-(2,4-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100515323
N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide
CID 62003055
2-(N-ethylsulfonyl-2,4-dimethylanilino)propanoic acid
CID 50891733
N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide
CID 39358343
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide (CID 28770445) is N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)N(CCN)c1ccc(C)cc1C.
What is the InChIKey of N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide?
The InChIKey is VMNGNFKHUQNOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-9-18(16,17)15(8-7-14)13-6-5-11(2)10-12(13)3/h5-6,10H,4,7-9,14H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide?
N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,4-dimethylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 28770445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).