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

C11H16N2O4S — CID 719631

IUPAC(4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C11H16N2O4S/c1-2-18(15,16)13-7-5-12(6-8-13)11(14)10-4-3-9-17-10/h3-4,9H,2,5-8H2,1H3
InChIKeyRNFZDXVBENHKHK-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.39
Rot. Bonds3

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

(4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone (PubChem CID 719631) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone
PubChem CID719631
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C11H16N2O4S/c1-2-18(15,16)13-7-5-12(6-8-13)11(14)10-4-3-9-17-10/h3-4,9H,2,5-8H2,1H3
InChIKeyRNFZDXVBENHKHK-UHFFFAOYSA-N
XLogP0.39
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone (CID 719631) is (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone is CCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone?
The InChIKey is RNFZDXVBENHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-18(15,16)13-7-5-12(6-8-13)11(14)10-4-3-9-17-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone?
(4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone has a molecular weight of 272.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 719631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).