[(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate

C18H23NO5S — CID 2676935

IUPAC[(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H]1CCCC1=O
InChIInChI=1S/C18H23NO5S/c1-13-8-9-14(25(22,23)19-10-3-2-4-11-19)12-15(13)18(21)24-17-7-5-6-16(17)20/h8-9,12,17H,2-7,10-11H2,1H3/t17-/m0/s1
InChIKeyGJRQUCYOJJNOTJ-KRWDZBQOSA-N
MW365.45 g/mol
LogP2.45
Rot. Bonds4

About [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate

[(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 2676935) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID2676935
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name[(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H]1CCCC1=O
InChIInChI=1S/C18H23NO5S/c1-13-8-9-14(25(22,23)19-10-3-2-4-11-19)12-15(13)18(21)24-17-7-5-6-16(17)20/h8-9,12,17H,2-7,10-11H2,1H3/t17-/m0/s1
InChIKeyGJRQUCYOJJNOTJ-KRWDZBQOSA-N
XLogP2.45
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxocyclohexyl) 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 4044670
[(1R)-2-oxocyclohexyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
CID 7902202
(2-oxocyclohexyl) 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3294241
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
[(1R)-2-oxocyclopentyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2679723
2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 55356811
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2361083
methyl 2-methyl-5-[3-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120715034
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 9296320
ethyl 1-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate
CID 4151785
(2,3,6-trimethylphenyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16546311

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate (CID 2676935) is [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O[C@H]1CCCC1=O.
What is the InChIKey of [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is GJRQUCYOJJNOTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-13-8-9-14(25(22,23)19-10-3-2-4-11-19)12-15(13)18(21)24-17-7-5-6-16(17)20/h8-9,12,17H,2-7,10-11H2,1H3/t17-/m0/s1.
What are the key properties of [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
[(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 365.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxocyclopentyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2676935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).