(4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone

C11H16N2O3S2 — CID 770531

IUPAC(4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H16N2O3S2/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
InChIKeyXGZDJJYYGOVVJV-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.86
Rot. Bonds3

About (4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 770531) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID770531
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H16N2O3S2/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
InChIKeyXGZDJJYYGOVVJV-UHFFFAOYSA-N
XLogP0.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.86
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)-thiophen-2-ylmethanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 770531) is (4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone is CCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is XGZDJJYYGOVVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/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)-thiophen-2-ylmethanone?
(4-ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 0.86, 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)-thiophen-2-ylmethanone is sourced from PubChem (CID 770531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).