2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C17H24N2O5S2 — CID 42343274

IUPAC2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C
InChIInChI=1S/C17H24N2O5S2/c1-3-14-6-4-5-10-18(14)26(23,24)16-12-15(8-7-13(16)2)19-17(20)9-11-25(19,21)22/h7-8,12,14H,3-6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyVSYUVHIBYPLKOC-CQSZACIVSA-N
MW400.52 g/mol
LogP2.01
Rot. Bonds4

About 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 42343274) has the molecular formula C17H24N2O5S2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID42343274
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC Name2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C
InChIInChI=1S/C17H24N2O5S2/c1-3-14-6-4-5-10-18(14)26(23,24)16-12-15(8-7-13(16)2)19-17(20)9-11-25(19,21)22/h7-8,12,14H,3-6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyVSYUVHIBYPLKOC-CQSZACIVSA-N
XLogP2.01
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one with MolForge

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Related Compounds

2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 42343269
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20897639
3-(2-ethylpyrrolidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 60973510
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110306774
2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
CID 16641363
2-(2-chloroethyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine
CID 63397489
ethyl 4-[2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 21004692
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
CID 19682814
2-(bromomethyl)-1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine
CID 81327929

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 42343274) is 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CC[C@@H]1CCCCN1S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C.
What is the InChIKey of 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is VSYUVHIBYPLKOC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-3-14-6-4-5-10-18(14)26(23,24)16-12-15(8-7-13(16)2)19-17(20)9-11-25(19,21)22/h7-8,12,14H,3-6,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 400.52 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 42343274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).