4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide

C13H23N3O2S — CID 54906965

IUPAC4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCNCCCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-14-10-5-11-15-12-6-8-13(9-7-12)19(17,18)16(2)3/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyUIQQSEYRTNXLRM-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.35
Rot. Bonds8

About 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide

4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 54906965) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID54906965
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCNCCCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-14-10-5-11-15-12-6-8-13(9-7-12)19(17,18)16(2)3/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyUIQQSEYRTNXLRM-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242
4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62640164
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
N,N-dimethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60721671
4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide (CID 54906965) is 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide is CCNCCCNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UIQQSEYRTNXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-14-10-5-11-15-12-6-8-13(9-7-12)19(17,18)16(2)3/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide?
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 54906965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).