4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide

C15H25N3O2S — CID 65461010

IUPAC4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1
InChIInChI=1S/C15H25N3O2S/c1-12(2)17-21(19,20)14-7-5-13(6-8-14)18-10-9-16-11-15(18,3)4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyJNJJNMWAOTXBAY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.56
Rot. Bonds4

About 4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide

4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 65461010) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID65461010
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1
InChIInChI=1S/C15H25N3O2S/c1-12(2)17-21(19,20)14-7-5-13(6-8-14)18-10-9-16-11-15(18,3)4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyJNJJNMWAOTXBAY-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.56
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-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide (CID 65461010) is 4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JNJJNMWAOTXBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)17-21(19,20)14-7-5-13(6-8-14)18-10-9-16-11-15(18,3)4/h5-8,12,16-17H,9-11H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide?
4-(2,2-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.56, 4 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 65461010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).