1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine

C11H17BrN2O2S2 — CID 79987539

IUPAC1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine
SMILESCc1cc(S(=O)(=O)N2CC(C)NC(C)C2)sc1Br
InChIInChI=1S/C11H17BrN2O2S2/c1-7-4-10(17-11(7)12)18(15,16)14-5-8(2)13-9(3)6-14/h4,8-9,13H,5-6H2,1-3H3
InChIKeyWBTUVTTVFWYACV-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.19
Rot. Bonds2

About 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine

1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine (PubChem CID 79987539) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine
PubChem CID79987539
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine
SMILESCc1cc(S(=O)(=O)N2CC(C)NC(C)C2)sc1Br
InChIInChI=1S/C11H17BrN2O2S2/c1-7-4-10(17-11(7)12)18(15,16)14-5-8(2)13-9(3)6-14/h4,8-9,13H,5-6H2,1-3H3
InChIKeyWBTUVTTVFWYACV-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine (CID 79987539) is 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine is Cc1cc(S(=O)(=O)N2CC(C)NC(C)C2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine?
The InChIKey is WBTUVTTVFWYACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-7-4-10(17-11(7)12)18(15,16)14-5-8(2)13-9(3)6-14/h4,8-9,13H,5-6H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine?
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine has a molecular weight of 353.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine is sourced from PubChem (CID 79987539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).