2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide

C14H23N3O2S — CID 64983289

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(c2ccccc2S(=O)(=O)N(C)C)C(C)CN1
InChIInChI=1S/C14H23N3O2S/c1-11-10-17(12(2)9-15-11)13-7-5-6-8-14(13)20(18,19)16(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyNVTZESYQOCAMLR-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.12
Rot. Bonds3

About 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide

2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 64983289) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID64983289
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(c2ccccc2S(=O)(=O)N(C)C)C(C)CN1
InChIInChI=1S/C14H23N3O2S/c1-11-10-17(12(2)9-15-11)13-7-5-6-8-14(13)20(18,19)16(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyNVTZESYQOCAMLR-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-(3-methylsulfonyl-2-nitrophenyl)piperazine
CID 82000116
2,5-dimethyl-1-(2-propylphenyl)piperazine
CID 64938900
2,5-dimethyl-1-(2-phenoxyphenyl)piperazine
CID 64951899
1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine
CID 64937185
1-[2-(dimethylsulfamoyl)phenyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721572
2-(2,5-dimethylpiperazin-1-yl)-3-methylquinoxaline
CID 64980691
2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 63846379
2-[2-(chloromethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 63392117
8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline
CID 96915582
2-[2-(aminomethyl)azepan-1-yl]-N,N-dimethylbenzenesulfonamide
CID 116640203
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935173
1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
CID 55104398

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide (CID 64983289) is 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide is CC1CN(c2ccccc2S(=O)(=O)N(C)C)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is NVTZESYQOCAMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-10-17(12(2)9-15-11)13-7-5-6-8-14(13)20(18,19)16(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide?
2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 64983289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).