(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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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
CID 2814290
N2,N2-dimethyl-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamide
CID 2820417
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
Thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4779966
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide
CID 4964210
4-[(3-Methyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxamide
CID 6486032
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-2-yl)-methanone
CID 11631394

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).