4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole

C12H20N2O3S — CID 141337939

IUPAC4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole
SMILESCc1ocnc1CS(=O)(=O)C1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C12H20N2O3S/c1-8-4-11(5-9(2)14-8)18(15,16)6-12-10(3)17-7-13-12/h7-9,11,14H,4-6H2,1-3H3/t8-,9+,11?
InChIKeyKAXGIQFFYOUVMW-SLHIUPAKSA-N
MW272.37 g/mol
LogP1.43
Rot. Bonds3

About 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole

4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole (PubChem CID 141337939) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole
PubChem CID141337939
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole
SMILESCc1ocnc1CS(=O)(=O)C1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C12H20N2O3S/c1-8-4-11(5-9(2)14-8)18(15,16)6-12-10(3)17-7-13-12/h7-9,11,14H,4-6H2,1-3H3/t8-,9+,11?
InChIKeyKAXGIQFFYOUVMW-SLHIUPAKSA-N
XLogP1.43
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole (CID 141337939) is 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole is Cc1ocnc1CS(=O)(=O)C1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole?
The InChIKey is KAXGIQFFYOUVMW-SLHIUPAKSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8-4-11(5-9(2)14-8)18(15,16)6-12-10(3)17-7-13-12/h7-9,11,14H,4-6H2,1-3H3/t8-,9+,11?.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole?
4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole has a molecular weight of 272.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 141337939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).