furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone

C12H18N2O4S — CID 777476

IUPACfuran-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C12H18N2O4S/c1-2-10-19(16,17)14-7-5-13(6-8-14)12(15)11-4-3-9-18-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyQIVWLUXRJPUQBX-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.78
Rot. Bonds4

About furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone

furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 777476) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID777476
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namefuran-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C12H18N2O4S/c1-2-10-19(16,17)14-7-5-13(6-8-14)12(15)11-4-3-9-18-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyQIVWLUXRJPUQBX-UHFFFAOYSA-N
XLogP0.78
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone (CID 777476) is furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is QIVWLUXRJPUQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-10-19(16,17)14-7-5-13(6-8-14)12(15)11-4-3-9-18-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 286.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 777476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).