N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide

C14H24N2O2S2 — CID 106063705

IUPACN-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NCCSC)cc1
InChIInChI=1S/C14H24N2O2S2/c1-3-9-15-10-8-13-4-6-14(7-5-13)20(17,18)16-11-12-19-2/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyPPBFDVUUMFBYOE-UHFFFAOYSA-N
MW316.49 g/mol
LogP1.87
Rot. Bonds10

About N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide

N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide (PubChem CID 106063705) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide
PubChem CID106063705
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NCCSC)cc1
InChIInChI=1S/C14H24N2O2S2/c1-3-9-15-10-8-13-4-6-14(7-5-13)20(17,18)16-11-12-19-2/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyPPBFDVUUMFBYOE-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methylsulfanylethyl)-4-[2-(propylamino)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-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
4-(methylsulfonylmethyl)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715832
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63959615
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
N-(2-methylsulfanylethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106063821
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide (CID 106063705) is N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide is CCCNCCc1ccc(S(=O)(=O)NCCSC)cc1.
What is the InChIKey of N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is PPBFDVUUMFBYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-3-9-15-10-8-13-4-6-14(7-5-13)20(17,18)16-11-12-19-2/h4-7,15-16H,3,8-12H2,1-2H3.
What are the key properties of N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide?
N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106063705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).