2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C16H22N2O5S2 — CID 42343269

IUPAC2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C16H22N2O5S2/c1-2-13-5-3-4-11-17(13)25(22,23)15-8-6-14(7-9-15)18-16(19)10-12-24(18,20)21/h6-9,13H,2-5,10-12H2,1H3/t13-/m0/s1
InChIKeyZCFWAILJDVHOQM-ZDUSSCGKSA-N
MW386.50 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 42343269) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID42343269
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C16H22N2O5S2/c1-2-13-5-3-4-11-17(13)25(22,23)15-8-6-14(7-9-15)18-16(19)10-12-24(18,20)21/h6-9,13H,2-5,10-12H2,1H3/t13-/m0/s1
InChIKeyZCFWAILJDVHOQM-ZDUSSCGKSA-N
XLogP1.71
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 42343274
1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 171665866
2-ethyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 2787058
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
2-ethyl-1-(4-isocyanatophenyl)sulfonylpiperidine
CID 169354521
1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
CID 62922384
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20896758
5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
CID 100820359
1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 119969465
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
2-(bromomethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 80676501

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 42343269) is 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CC[C@H]1CCCCN1S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is ZCFWAILJDVHOQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c1-2-13-5-3-4-11-17(13)25(22,23)15-8-6-14(7-9-15)18-16(19)10-12-24(18,20)21/h6-9,13H,2-5,10-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 386.50 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 42343269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).