2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide

C14H25N3O2S — CID 82938360

IUPAC2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC(C)CN(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-10-15-20(18,19)14-9-7-6-8-13(14)16-12(2)11-17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyVCVYSDOCNDNBOB-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.74
Rot. Bonds8

About 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide

2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide (PubChem CID 82938360) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
PubChem CID82938360
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC(C)CN(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-10-15-20(18,19)14-9-7-6-8-13(14)16-12(2)11-17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyVCVYSDOCNDNBOB-UHFFFAOYSA-N
XLogP1.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide
CID 104556716
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 106282881
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
CID 115310851
3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
CID 81083785
2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640214
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
CID 63548795
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide (CID 82938360) is 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide?
The InChIKey is VCVYSDOCNDNBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-10-15-20(18,19)14-9-7-6-8-13(14)16-12(2)11-17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide?
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 82938360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).