N-(3-aminopropyl)-4-propylbenzenesulfonamide

C12H20N2O2S — CID 43605819

IUPACN-(3-aminopropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-2-4-11-5-7-12(8-6-11)17(15,16)14-10-3-9-13/h5-8,14H,2-4,9-10,13H2,1H3
InChIKeyDPVLOGKGUFJUNK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds7

About N-(3-aminopropyl)-4-propylbenzenesulfonamide

N-(3-aminopropyl)-4-propylbenzenesulfonamide (PubChem CID 43605819) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-propylbenzenesulfonamide
PubChem CID43605819
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(3-aminopropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-2-4-11-5-7-12(8-6-11)17(15,16)14-10-3-9-13/h5-8,14H,2-4,9-10,13H2,1H3
InChIKeyDPVLOGKGUFJUNK-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-4-propylbenzenesulfonamide 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-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(4-azidobutyl)-4-propylbenzenesulfonamide
CID 114182224
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
CID 39371877
N-iodo-4-propylbenzenesulfonamide
CID 143564822

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-propylbenzenesulfonamide (CID 43605819) is N-(3-aminopropyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-propylbenzenesulfonamide?
The InChIKey is DPVLOGKGUFJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-4-11-5-7-12(8-6-11)17(15,16)14-10-3-9-13/h5-8,14H,2-4,9-10,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-propylbenzenesulfonamide?
N-(3-aminopropyl)-4-propylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 43605819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).