4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide

C13H23N3O2S — CID 62640164

IUPAC4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H23N3O2S/c1-5-16(4)11-10-14-12-6-8-13(9-7-12)19(17,18)15(2)3/h6-9,14H,5,10-11H2,1-4H3
InChIKeyXUSMEEUKHVNIID-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.30
Rot. Bonds7

About 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide

4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 62640164) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID62640164
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H23N3O2S/c1-5-16(4)11-10-14-12-6-8-13(9-7-12)19(17,18)15(2)3/h6-9,14H,5,10-11H2,1-4H3
InChIKeyXUSMEEUKHVNIID-UHFFFAOYSA-N
XLogP1.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62642355
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62842954
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide (CID 62640164) is 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide is CCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XUSMEEUKHVNIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-16(4)11-10-14-12-6-8-13(9-7-12)19(17,18)15(2)3/h6-9,14H,5,10-11H2,1-4H3.
What are the key properties of 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide?
4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 62640164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).