4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide

C13H21N3O2S — CID 65461806

IUPAC4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1
InChIInChI=1S/C13H21N3O2S/c1-13(2)10-15-8-9-16(13)11-4-6-12(7-5-11)19(17,18)14-3/h4-7,14-15H,8-10H2,1-3H3
InChIKeyWZTQBASIJGJVLB-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.78
Rot. Bonds3

About 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide

4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 65461806) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide
PubChem CID65461806
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1
InChIInChI=1S/C13H21N3O2S/c1-13(2)10-15-8-9-16(13)11-4-6-12(7-5-11)19(17,18)14-3/h4-7,14-15H,8-10H2,1-3H3
InChIKeyWZTQBASIJGJVLB-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide (CID 65461806) is 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is WZTQBASIJGJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2)10-15-8-9-16(13)11-4-6-12(7-5-11)19(17,18)14-3/h4-7,14-15H,8-10H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide?
4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpiperazin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 65461806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).