(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate

C17H24N2O5S — CID 55553184

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O5S/c1-2-11-25(22,23)18-15-8-6-7-14(12-15)17(21)24-13-16(20)19-9-4-3-5-10-19/h6-8,12,18H,2-5,9-11,13H2,1H3
InChIKeyYIHUAJNQZAARHA-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.01
Rot. Bonds7

About (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate

(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate (PubChem CID 55553184) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate
PubChem CID55553184
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O5S/c1-2-11-25(22,23)18-15-8-6-7-14(12-15)17(21)24-13-16(20)19-9-4-3-5-10-19/h6-8,12,18H,2-5,9-11,13H2,1H3
InChIKeyYIHUAJNQZAARHA-UHFFFAOYSA-N
XLogP2.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 51933163
[2-(azocan-1-yl)-2-oxoethyl] 3-acetamidobenzoate
CID 17397284
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
ethyl 4-[2-[3-(methanesulfonamido)benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 16543117
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(propylsulfonylamino)benzoate
CID 55553637
(2-oxo-2-piperidin-1-ylethyl) 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623659
[2-(4-chloroanilino)-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 55552969
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 16543157
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247767
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propane-1-sulfonamide
CID 78846925
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 119380877
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate (CID 55553184) is (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate is CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCCCC2)c1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate?
The InChIKey is YIHUAJNQZAARHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-2-11-25(22,23)18-15-8-6-7-14(12-15)17(21)24-13-16(20)19-9-4-3-5-10-19/h6-8,12,18H,2-5,9-11,13H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate?
(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate has a molecular weight of 368.46 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate is sourced from PubChem (CID 55553184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).