4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide

C13H23N3O2S — CID 43454080

IUPAC4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCCN(C)C)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-9-15-19(17,18)13-7-5-12(6-8-13)14-10-11-16(2)3/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyXRHHBRJMDWLMJS-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.35
Rot. Bonds8

About 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide

4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide (PubChem CID 43454080) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
PubChem CID43454080
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCCN(C)C)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-9-15-19(17,18)13-7-5-12(6-8-13)14-10-11-16(2)3/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyXRHHBRJMDWLMJS-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
CID 43383354
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide (CID 43454080) is 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide?
The InChIKey is XRHHBRJMDWLMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-9-15-19(17,18)13-7-5-12(6-8-13)14-10-11-16(2)3/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide?
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 43454080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).