4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide

C11H19N3O2S — CID 60890115

IUPAC4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
SMILESCC(NCCCN)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O2S/c1-9(14-8-2-7-12)10-3-5-11(6-4-10)17(13,15)16/h3-6,9,14H,2,7-8,12H2,1H3,(H2,13,15,16)
InChIKeyKIWUGXCARVJRLD-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.33
Rot. Bonds6

About 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide

4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide (PubChem CID 60890115) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
PubChem CID60890115
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
SMILESCC(NCCCN)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O2S/c1-9(14-8-2-7-12)10-3-5-11(6-4-10)17(13,15)16/h3-6,9,14H,2,7-8,12H2,1H3,(H2,13,15,16)
InChIKeyKIWUGXCARVJRLD-UHFFFAOYSA-N
XLogP0.33
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
CID 115898464
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
4-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]benzenesulfonamide
CID 63828539

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide (CID 60890115) is 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide is CC(NCCCN)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide?
The InChIKey is KIWUGXCARVJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(14-8-2-7-12)10-3-5-11(6-4-10)17(13,15)16/h3-6,9,14H,2,7-8,12H2,1H3,(H2,13,15,16).
What are the key properties of 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide?
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 60890115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).