(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one

C15H20ClNO3S — CID 59342378

IUPAC(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one
SMILESCC[C@@H]1CC(=O)C[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3S/c1-3-12-9-14(18)10-13(4-2)17(12)21(19,20)15-7-5-11(16)6-8-15/h5-8,12-13H,3-4,9-10H2,1-2H3/t12-,13+
InChIKeyNVZMEKODMXDZGU-BETUJISGSA-N
MW329.85 g/mol
LogP3.25
Rot. Bonds4

About (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one

(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one (PubChem CID 59342378) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one.

Molecular Properties

Compound Name(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one
PubChem CID59342378
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one
SMILESCC[C@@H]1CC(=O)C[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3S/c1-3-12-9-14(18)10-13(4-2)17(12)21(19,20)15-7-5-11(16)6-8-15/h5-8,12-13H,3-4,9-10H2,1-2H3/t12-,13+
InChIKeyNVZMEKODMXDZGU-BETUJISGSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one?
The IUPAC name of (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one (CID 59342378) is (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one.
What is the SMILES notation for (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one?
The canonical SMILES for (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one is CC[C@@H]1CC(=O)C[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one?
The InChIKey is NVZMEKODMXDZGU-BETUJISGSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-3-12-9-14(18)10-13(4-2)17(12)21(19,20)15-7-5-11(16)6-8-15/h5-8,12-13H,3-4,9-10H2,1-2H3/t12-,13+.
What are the key properties of (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one?
(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one has a molecular weight of 329.85 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one is sourced from PubChem (CID 59342378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).