2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide

C15H25N3O2S — CID 90245786

IUPAC2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide
SMILESCCN1CCN(c2cccc(C)c2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-5-17-9-11-18(12-10-17)14-8-6-7-13(2)15(14)21(19,20)16(3)4/h6-8H,5,9-12H2,1-4H3
InChIKeyMCASAOKIRABALD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide

2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide (PubChem CID 90245786) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide
PubChem CID90245786
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide
SMILESCCN1CCN(c2cccc(C)c2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-5-17-9-11-18(12-10-17)14-8-6-7-13(2)15(14)21(19,20)16(3)4/h6-8H,5,9-12H2,1-4H3
InChIKeyMCASAOKIRABALD-UHFFFAOYSA-N
XLogP1.39
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide (CID 90245786) is 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide is CCN1CCN(c2cccc(C)c2S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide?
The InChIKey is MCASAOKIRABALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-17-9-11-18(12-10-17)14-8-6-7-13(2)15(14)21(19,20)16(3)4/h6-8H,5,9-12H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide?
2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N,N,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 90245786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).