4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide

C14H25N3O2S — CID 106017203

IUPAC4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CCCN)cc1)N(C)C
InChIInChI=1S/C14H25N3O2S/c1-12(17(2)3)11-16-20(18,19)14-8-6-13(7-9-14)5-4-10-15/h6-9,12,16H,4-5,10-11,15H2,1-3H3
InChIKeyXVSNCSMYNOMPGP-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.81
Rot. Bonds8

About 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide

4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 106017203) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
PubChem CID106017203
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CCCN)cc1)N(C)C
InChIInChI=1S/C14H25N3O2S/c1-12(17(2)3)11-16-20(18,19)14-8-6-13(7-9-14)5-4-10-15/h6-9,12,16H,4-5,10-11,15H2,1-3H3
InChIKeyXVSNCSMYNOMPGP-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050722
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082197
3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 63288638
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 84558138
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079938
4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080854
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide (CID 106017203) is 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(CCCN)cc1)N(C)C.
What is the InChIKey of 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is XVSNCSMYNOMPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-12(17(2)3)11-16-20(18,19)14-8-6-13(7-9-14)5-4-10-15/h6-9,12,16H,4-5,10-11,15H2,1-3H3.
What are the key properties of 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide?
4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 106017203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).