[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate

C17H23ClN2O5S — CID 26008544

IUPAC[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C17H23ClN2O5S/c1-13(17(22)20-11-5-2-6-12-20)25-16(21)9-10-19-26(23,24)15-8-4-3-7-14(15)18/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3/t13-/m1/s1
InChIKeyKOVAHRGMDGGQEP-CYBMUJFWSA-N
MW402.90 g/mol
LogP1.95
Rot. Bonds7

About [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate

[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate (PubChem CID 26008544) has the molecular formula C17H23ClN2O5S and a molecular weight of 402.90 g/mol. Its IUPAC name is [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
PubChem CID26008544
Molecular FormulaC17H23ClN2O5S
Molecular Weight402.90 g/mol
Exact Mass402.10
IUPAC Name[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C17H23ClN2O5S/c1-13(17(22)20-11-5-2-6-12-20)25-16(21)9-10-19-26(23,24)15-8-4-3-7-14(15)18/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3/t13-/m1/s1
InChIKeyKOVAHRGMDGGQEP-CYBMUJFWSA-N
XLogP1.95
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351682
N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide
CID 55408215
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 8884869
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
CID 110504575
2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9338930
[1-(azepan-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55422049
N-butan-2-yl-2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 55884585
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)propanoate
CID 55935697
[2-(cyclopentylamino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978247

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate (CID 26008544) is [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate is C[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is KOVAHRGMDGGQEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23ClN2O5S/c1-13(17(22)20-11-5-2-6-12-20)25-16(21)9-10-19-26(23,24)15-8-4-3-7-14(15)18/h3-4,7-8,13,19H,2,5-6,9-12H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate?
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 402.90 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 26008544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).