1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one

C14H18N2O5S2 — CID 22694442

IUPAC1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H18N2O5S2/c17-14-8-11-22(18,19)16(14)12-4-6-13(7-5-12)23(20,21)15-9-2-1-3-10-15/h4-7H,1-3,8-11H2
InChIKeyXXGNHLIAPJIYFB-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.93
Rot. Bonds3

About 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one

1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one (PubChem CID 22694442) has the molecular formula C14H18N2O5S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one
PubChem CID22694442
Molecular FormulaC14H18N2O5S2
Molecular Weight358.44 g/mol
Exact Mass358.07
IUPAC Name1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H18N2O5S2/c17-14-8-11-22(18,19)16(14)12-4-6-13(7-5-12)23(20,21)15-9-2-1-3-10-15/h4-7H,1-3,8-11H2
InChIKeyXXGNHLIAPJIYFB-UHFFFAOYSA-N
XLogP0.93
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695230
2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110311400
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20896758
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694958
2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 42343269
N-(4-pyrrolidin-1-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694532
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694479
N-[(2R)-2-pyrrolidin-1-ylpropyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42343400
2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695035
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695002
N-(2,5-dimethylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694978
N-(4-bromo-2-fluorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004652

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one?
The IUPAC name of 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one (CID 22694442) is 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one.
What is the SMILES notation for 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one?
The canonical SMILES for 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one is O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one?
The InChIKey is XXGNHLIAPJIYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S2/c17-14-8-11-22(18,19)16(14)12-4-6-13(7-5-12)23(20,21)15-9-2-1-3-10-15/h4-7H,1-3,8-11H2.
What are the key properties of 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one?
1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one has a molecular weight of 358.44 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one is sourced from PubChem (CID 22694442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).