3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide

C13H22N2O2S — CID 60872255

IUPAC3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cccc(C(CC)NC)c1
InChIInChI=1S/C13H22N2O2S/c1-4-9-15-18(16,17)12-8-6-7-11(10-12)13(5-2)14-3/h6-8,10,13-15H,4-5,9H2,1-3H3
InChIKeyGDRCOPSPUBBQTG-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.05
Rot. Bonds7

About 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide

3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide (PubChem CID 60872255) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
PubChem CID60872255
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cccc(C(CC)NC)c1
InChIInChI=1S/C13H22N2O2S/c1-4-9-15-18(16,17)12-8-6-7-11(10-12)13(5-2)14-3/h6-8,10,13-15H,4-5,9H2,1-3H3
InChIKeyGDRCOPSPUBBQTG-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(methylamino)propyl]-N-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

2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60872842
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279537
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904543
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
CID 43507340
methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate
CID 60871696
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide (CID 60872255) is 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cccc(C(CC)NC)c1.
What is the InChIKey of 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide?
The InChIKey is GDRCOPSPUBBQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-9-15-18(16,17)12-8-6-7-11(10-12)13(5-2)14-3/h6-8,10,13-15H,4-5,9H2,1-3H3.
What are the key properties of 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide?
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 60872255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).