N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide

C14H25N3O2S — CID 102994804

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H25N3O2S/c1-5-17(12-6-11-16(3)4)20(18,19)14-9-7-13(15-2)8-10-14/h7-10,15H,5-6,11-12H2,1-4H3
InChIKeyIVWOTGVCULCUAD-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.69
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide

N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide (PubChem CID 102994804) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
PubChem CID102994804
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H25N3O2S/c1-5-17(12-6-11-16(3)4)20(18,19)14-9-7-13(15-2)8-10-14/h7-10,15H,5-6,11-12H2,1-4H3
InChIKeyIVWOTGVCULCUAD-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
CID 102996705
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
4-(methylamino)-N,N-bis(3-methylbutyl)benzenesulfonamide
CID 90764281

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide (CID 102994804) is N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide?
The InChIKey is IVWOTGVCULCUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-17(12-6-11-16(3)4)20(18,19)14-9-7-13(15-2)8-10-14/h7-10,15H,5-6,11-12H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 102994804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).