(3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one

C18H25NO3S — CID 162401512

IUPAC(3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCC(C)([C@@H]3CCC(=O)C3)CC2)cc1
InChIInChI=1S/C18H25NO3S/c1-14-3-7-17(8-4-14)23(21,22)19-11-9-18(2,10-12-19)15-5-6-16(20)13-15/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m1/s1
InChIKeyMAMLESICAOOPPF-OAHLLOKOSA-N
MW335.47 g/mol
LogP3.16
Rot. Bonds3

About (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one

(3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one (PubChem CID 162401512) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one
PubChem CID162401512
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name(3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCC(C)([C@@H]3CCC(=O)C3)CC2)cc1
InChIInChI=1S/C18H25NO3S/c1-14-3-7-17(8-4-14)23(21,22)19-11-9-18(2,10-12-19)15-5-6-16(20)13-15/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m1/s1
InChIKeyMAMLESICAOOPPF-OAHLLOKOSA-N
XLogP3.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
2,5-Dimethyl-1-(toluene-4-sulfonyl)-piperidin-4-one
CID 3109998
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
8a-benzyl-2-(phenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 11417666
8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 24180659
8a-benzyl-2-tosyl-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442926
(R)-8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442927
8a-benzyl-2-(biphenyl-4-sulfonyl)-1,3,4,7,8,8a-hexahydro-2H-isoquinolin-6-one
CID 44442929
N-[2-(1,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-7-yl)-ethyl]-4-methyl-benzenesulfonamide
CID 16681770
1-(4-Tert-butyl benzene)-sulfonyl-cis-2,6-dimethyl piperidine
CID 1086746
5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione
CID 3262567
8a-(4-fluorobenzyl)-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442957

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one?
The IUPAC name of (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one (CID 162401512) is (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one.
What is the SMILES notation for (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one?
The canonical SMILES for (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one is Cc1ccc(S(=O)(=O)N2CCC(C)([C@@H]3CCC(=O)C3)CC2)cc1.
What is the InChIKey of (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one?
The InChIKey is MAMLESICAOOPPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-14-3-7-17(8-4-14)23(21,22)19-11-9-18(2,10-12-19)15-5-6-16(20)13-15/h3-4,7-8,15H,5-6,9-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one?
(3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one has a molecular weight of 335.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclopentan-1-one is sourced from PubChem (CID 162401512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).