1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine

C12H20N2O3S — CID 120725851

IUPAC1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCNC(C)C2C)c(C)o1
InChIInChI=1S/C12H20N2O3S/c1-8-7-12(11(4)17-8)18(15,16)14-6-5-13-9(2)10(14)3/h7,9-10,13H,5-6H2,1-4H3
InChIKeyGHXFJDSKFATLGQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.27
Rot. Bonds2

About 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine

1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine (PubChem CID 120725851) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
PubChem CID120725851
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCNC(C)C2C)c(C)o1
InChIInChI=1S/C12H20N2O3S/c1-8-7-12(11(4)17-8)18(15,16)14-6-5-13-9(2)10(14)3/h7,9-10,13H,5-6H2,1-4H3
InChIKeyGHXFJDSKFATLGQ-UHFFFAOYSA-N
XLogP1.27
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine
CID 120876607
2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725578
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725989
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(3-bromo-5-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725861
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725803
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
CID 120725706

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine (CID 120725851) is 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine is Cc1cc(S(=O)(=O)N2CCNC(C)C2C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine?
The InChIKey is GHXFJDSKFATLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8-7-12(11(4)17-8)18(15,16)14-6-5-13-9(2)10(14)3/h7,9-10,13H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine?
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine has a molecular weight of 272.37 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine is sourced from PubChem (CID 120725851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).