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

C12H17NO3S2 — CID 71805647

IUPAC1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C12H17NO3S2/c1-18(15,16)11-4-6-13(7-5-11)12(14)9-10-3-2-8-17-10/h2-3,8,11H,4-7,9H2,1H3
InChIKeyYEAGOQIQCITSOV-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.33
Rot. Bonds3

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

1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 71805647) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID71805647
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C12H17NO3S2/c1-18(15,16)11-4-6-13(7-5-11)12(14)9-10-3-2-8-17-10/h2-3,8,11H,4-7,9H2,1H3
InChIKeyYEAGOQIQCITSOV-UHFFFAOYSA-N
XLogP1.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 71805647) is 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone is CS(=O)(=O)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is YEAGOQIQCITSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-18(15,16)11-4-6-13(7-5-11)12(14)9-10-3-2-8-17-10/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 287.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 71805647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).