3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride

C15H26ClN3O2S — CID 119923881

IUPAC3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCC1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC(C)N1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-12-9-18(10-13(2)16-12)11-14-6-5-7-15(8-14)21(19,20)17(3)4;/h5-8,12-13,16H,9-11H2,1-4H3;1H
InChIKeyHDLDYOFOPFUJDP-UHFFFAOYSA-N
MW347.91 g/mol
LogP1.54
Rot. Bonds4

About 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride

3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119923881) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119923881
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCC1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC(C)N1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-12-9-18(10-13(2)16-12)11-14-6-5-7-15(8-14)21(19,20)17(3)4;/h5-8,12-13,16H,9-11H2,1-4H3;1H
InChIKeyHDLDYOFOPFUJDP-UHFFFAOYSA-N
XLogP1.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride 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

3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 115486456
1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863142
(3S,5R)-1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 156693653
1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 79983915
3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 47004137
N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 134055383
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 27159090
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
(2S)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910755

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride (CID 119923881) is 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride is CC1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC(C)N1.Cl.
What is the InChIKey of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is HDLDYOFOPFUJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-12-9-18(10-13(2)16-12)11-14-6-5-7-15(8-14)21(19,20)17(3)4;/h5-8,12-13,16H,9-11H2,1-4H3;1H.
What are the key properties of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119923881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).