[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

C19H25N3O6S — CID 8982343

IUPAC[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1
InChIInChI=1S/C19H25N3O6S/c1-13-6-8-15(9-7-13)29(26,27)22-11-4-3-5-16(22)18(24)28-14(2)17(23)21-12-10-20-19(21)25/h6-9,14,16H,3-5,10-12H2,1-2H3,(H,20,25)/t14-,16-/m0/s1
InChIKeyDXSZZXCFNWQYRS-HOCLYGCPSA-N
MW423.49 g/mol
LogP1.02
Rot. Bonds5

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate (PubChem CID 8982343) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
PubChem CID8982343
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1
InChIInChI=1S/C19H25N3O6S/c1-13-6-8-15(9-7-13)29(26,27)22-11-4-3-5-16(22)18(24)28-14(2)17(23)21-12-10-20-19(21)25/h6-9,14,16H,3-5,10-12H2,1-2H3,(H,20,25)/t14-,16-/m0/s1
InChIKeyDXSZZXCFNWQYRS-HOCLYGCPSA-N
XLogP1.02
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617609
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11925468
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 7534266
[(1S)-1-cyanoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11907611
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11907606
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 55422765
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 11935099
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 46672158
methyl (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate
CID 102306773
[(3S)-thiolan-3-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 98754010

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate (CID 8982343) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate?
The InChIKey is DXSZZXCFNWQYRS-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-13-6-8-15(9-7-13)29(26,27)22-11-4-3-5-16(22)18(24)28-14(2)17(23)21-12-10-20-19(21)25/h6-9,14,16H,3-5,10-12H2,1-2H3,(H,20,25)/t14-,16-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate?
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 8982343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).