4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide

C13H23N3O2S — CID 55225592

IUPAC4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H23N3O2S/c1-15(2)9-4-10-16(3)19(17,18)13-7-5-12(11-14)6-8-13/h5-8H,4,9-11,14H2,1-3H3
InChIKeyHPWNMDJZSKAILI-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.72
Rot. Bonds7

About 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide

4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide (PubChem CID 55225592) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
PubChem CID55225592
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H23N3O2S/c1-15(2)9-4-10-16(3)19(17,18)13-7-5-12(11-14)6-8-13/h5-8H,4,9-11,14H2,1-3H3
InChIKeyHPWNMDJZSKAILI-UHFFFAOYSA-N
XLogP0.72
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(dimethylamino)propyl-methylsulfamoyl]phenyl]acetic acid
CID 63694485
4-(cyanomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 79195632
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonyl fluoride
CID 114958336
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 63700082
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295859
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
3-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 63701055
4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 115319076
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide (CID 55225592) is 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide is CN(C)CCCN(C)S(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide?
The InChIKey is HPWNMDJZSKAILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-15(2)9-4-10-16(3)19(17,18)13-7-5-12(11-14)6-8-13/h5-8H,4,9-11,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide?
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 55225592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).