(6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one

C15H21NO3S — CID 53473954

IUPAC(6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one
SMILESCCC[C@@H]1CCC(=O)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3S/c1-3-4-13-7-8-14(17)11-16(13)20(18,19)15-9-5-12(2)6-10-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3/t13-/m1/s1
InChIKeySMNWRWMLHWSZCP-CYBMUJFWSA-N
MW295.40 g/mol
LogP2.52
Rot. Bonds4

About (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one

(6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one (PubChem CID 53473954) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one.

Molecular Properties

Compound Name(6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one
PubChem CID53473954
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one
SMILESCCC[C@@H]1CCC(=O)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO3S/c1-3-4-13-7-8-14(17)11-16(13)20(18,19)15-9-5-12(2)6-10-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3/t13-/m1/s1
InChIKeySMNWRWMLHWSZCP-CYBMUJFWSA-N
XLogP2.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
1-((4-Methylphenyl)sulfonyl)piperidine-2-carboxylic acid
CID 2928142
2,5-Dimethyl-1-(toluene-4-sulfonyl)-piperidin-4-one
CID 3109998
1-(4-Methyl benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 27764355
8a-benzyl-2-tosyl-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442926
4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 1090373
1-(Phenylsulfonyl)octahydro-4(1H)-quinolinone
CID 555825
N-Tosyl-L-lysinyl methyl ketone
CID 5289452
3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 16196886
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide
CID 1090424
1-[3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 1090447
5,5-Dimethyl-2-({1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,3-cyclohexanedione
CID 1477696

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one?
The IUPAC name of (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one (CID 53473954) is (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one.
What is the SMILES notation for (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one?
The canonical SMILES for (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one is CCC[C@@H]1CCC(=O)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one?
The InChIKey is SMNWRWMLHWSZCP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-4-13-7-8-14(17)11-16(13)20(18,19)15-9-5-12(2)6-10-15/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one?
(6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one has a molecular weight of 295.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(4-methylphenyl)sulfonyl-6-propylpiperidin-3-one is sourced from PubChem (CID 53473954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).