furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C12H18N2O4S — CID 94897133

IUPACfuran-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C12H18N2O4S/c1-19(16,17)10-8-13-4-6-14(7-5-13)12(15)11-3-2-9-18-11/h2-3,9H,4-8,10H2,1H3
InChIKeyARVHJMKPWNEZOK-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.08
Rot. Bonds4

About furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 94897133) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID94897133
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namefuran-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C12H18N2O4S/c1-19(16,17)10-8-13-4-6-14(7-5-13)12(15)11-3-2-9-18-11/h2-3,9H,4-8,10H2,1H3
InChIKeyARVHJMKPWNEZOK-UHFFFAOYSA-N
XLogP0.08
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide
CID 111166347
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 110397722
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 118793944
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 94897133) is furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CS(=O)(=O)CCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is ARVHJMKPWNEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-19(16,17)10-8-13-4-6-14(7-5-13)12(15)11-3-2-9-18-11/h2-3,9H,4-8,10H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 286.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 94897133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).