2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide

C13H23N3O2S — CID 104556716

IUPAC2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N(C)C(C)CN
InChIInChI=1S/C13H23N3O2S/c1-4-9-15-19(17,18)13-8-6-5-7-12(13)16(3)11(2)10-14/h5-8,11,15H,4,9-10,14H2,1-3H3
InChIKeyFMTHZEJHYZWING-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.16
Rot. Bonds7

About 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide

2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide (PubChem CID 104556716) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide
PubChem CID104556716
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N(C)C(C)CN
InChIInChI=1S/C13H23N3O2S/c1-4-9-15-19(17,18)13-8-6-5-7-12(13)16(3)11(2)10-14/h5-8,11,15H,4,9-10,14H2,1-3H3
InChIKeyFMTHZEJHYZWING-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-aminopropan-2-yl(methyl)amino]-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-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine
CID 104556660
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
CID 82938360
methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
CID 62005097
2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
CID 102874822
2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
CID 63548795
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
CID 115310851
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
3-N-methyl-3-N-[2-(trifluoromethylsulfonyl)phenyl]butane-1,3-diamine
CID 63225381
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409

Frequently Asked Questions

What is the IUPAC name of 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide (CID 104556716) is 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1N(C)C(C)CN.
What is the InChIKey of 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide?
The InChIKey is FMTHZEJHYZWING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-9-15-19(17,18)13-8-6-5-7-12(13)16(3)11(2)10-14/h5-8,11,15H,4,9-10,14H2,1-3H3.
What are the key properties of 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide?
2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 104556716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).