3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide

C14H22N2O2S — CID 115898656

IUPAC3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
SMILESCC(NCCCC1CC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O2S/c1-11(16-9-3-4-12-7-8-12)13-5-2-6-14(10-13)19(15,17)18/h2,5-6,10-12,16H,3-4,7-9H2,1H3,(H2,15,17,18)
InChIKeyBKJGYEHDOPGVLM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.17
Rot. Bonds7

About 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide

3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide (PubChem CID 115898656) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
PubChem CID115898656
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
SMILESCC(NCCCC1CC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O2S/c1-11(16-9-3-4-12-7-8-12)13-5-2-6-14(10-13)19(15,17)18/h2,5-6,10-12,16H,3-4,7-9H2,1H3,(H2,15,17,18)
InChIKeyBKJGYEHDOPGVLM-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[1-(3-cyclopropylpropylamino)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

3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-(3-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115898473
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795
3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 103910598
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenesulfonamide
CID 43773780
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide
CID 103911381

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide (CID 115898656) is 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide is CC(NCCCC1CC1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide?
The InChIKey is BKJGYEHDOPGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(16-9-3-4-12-7-8-12)13-5-2-6-14(10-13)19(15,17)18/h2,5-6,10-12,16H,3-4,7-9H2,1H3,(H2,15,17,18).
What are the key properties of 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide?
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 115898656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).