1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone

C11H16N2O3S2 — CID 1246104

IUPAC1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)13-6-4-12(5-7-13)11(14)9-10-3-2-8-17-10/h2-3,8H,4-7,9H2,1H3
InChIKeySEXQKEKQYSXKLJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.39
Rot. Bonds3

About 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone

1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 1246104) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
PubChem CID1246104
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)13-6-4-12(5-7-13)11(14)9-10-3-2-8-17-10/h2-3,8H,4-7,9H2,1H3
InChIKeySEXQKEKQYSXKLJ-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone (CID 1246104) is 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone is CS(=O)(=O)N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is SEXQKEKQYSXKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-18(15,16)13-6-4-12(5-7-13)11(14)9-10-3-2-8-17-10/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone?
1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 288.39 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 1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 1246104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).