2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole

C11H18N2O2S2 — CID 141154319

IUPAC2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC(CCc2nccs2)CC1
InChIInChI=1S/C11H18N2O2S2/c1-17(14,15)13-7-4-10(5-8-13)2-3-11-12-6-9-16-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyZYMFTUFGDBMFEK-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.75
Rot. Bonds4

About 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole

2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole (PubChem CID 141154319) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole
PubChem CID141154319
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC(CCc2nccs2)CC1
InChIInChI=1S/C11H18N2O2S2/c1-17(14,15)13-7-4-10(5-8-13)2-3-11-12-6-9-16-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyZYMFTUFGDBMFEK-UHFFFAOYSA-N
XLogP1.75
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole (CID 141154319) is 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole is CS(=O)(=O)N1CCC(CCc2nccs2)CC1.
What is the InChIKey of 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole?
The InChIKey is ZYMFTUFGDBMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-17(14,15)13-7-4-10(5-8-13)2-3-11-12-6-9-16-11/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole?
2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole has a molecular weight of 274.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 141154319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).