(3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone

C11H16N2O2S — CID 119577876

IUPAC(3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone
SMILESCSc1ccc(C(=O)N2CCNC(C)C2)o1
InChIInChI=1S/C11H16N2O2S/c1-8-7-13(6-5-12-8)11(14)9-3-4-10(15-9)16-2/h3-4,8,12H,5-7H2,1-2H3
InChIKeyLBYYKDLLDGFZEG-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.44
Rot. Bonds2

About (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone

(3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone (PubChem CID 119577876) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone
PubChem CID119577876
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone
SMILESCSc1ccc(C(=O)N2CCNC(C)C2)o1
InChIInChI=1S/C11H16N2O2S/c1-8-7-13(6-5-12-8)11(14)9-3-4-10(15-9)16-2/h3-4,8,12H,5-7H2,1-2H3
InChIKeyLBYYKDLLDGFZEG-UHFFFAOYSA-N
XLogP1.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone 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 (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone?
The IUPAC name of (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone (CID 119577876) is (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone?
The canonical SMILES for (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone is CSc1ccc(C(=O)N2CCNC(C)C2)o1.
What is the InChIKey of (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone?
The InChIKey is LBYYKDLLDGFZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-7-13(6-5-12-8)11(14)9-3-4-10(15-9)16-2/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone?
(3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-(5-methylsulfanylfuran-2-yl)methanone is sourced from PubChem (CID 119577876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).