(1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone

C16H22N2O3S3 — CID 133203577

IUPAC(1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCS/C2=C/c2cccs2)C1
InChIInChI=1S/C16H22N2O3S3/c1-2-24(20,21)17-7-3-5-13(12-17)16(19)18-8-10-23-15(18)11-14-6-4-9-22-14/h4,6,9,11,13H,2-3,5,7-8,10,12H2,1H3/b15-11+
InChIKeyRHNGVGIXGCKLLA-RVDMUPIBSA-N
MW386.56 g/mol
LogP2.68
Rot. Bonds4

About (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone

(1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone (PubChem CID 133203577) has the molecular formula C16H22N2O3S3 and a molecular weight of 386.56 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone
PubChem CID133203577
Molecular FormulaC16H22N2O3S3
Molecular Weight386.56 g/mol
Exact Mass386.08
IUPAC Name(1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCS/C2=C/c2cccs2)C1
InChIInChI=1S/C16H22N2O3S3/c1-2-24(20,21)17-7-3-5-13(12-17)16(19)18-8-10-23-15(18)11-14-6-4-9-22-14/h4,6,9,11,13H,2-3,5,7-8,10,12H2,1H3/b15-11+
InChIKeyRHNGVGIXGCKLLA-RVDMUPIBSA-N
XLogP2.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
CID 100578056
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2E)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]methanone
CID 100576291
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55760672
2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
1-methylsulfonyl-N-[(E)-thiophen-2-ylmethylideneamino]piperidine-3-carboxamide
CID 17349650
(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 100901271
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95118895
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 126819210
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone (CID 133203577) is (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone is CCS(=O)(=O)N1CCCC(C(=O)N2CCS/C2=C/c2cccs2)C1.
What is the InChIKey of (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is RHNGVGIXGCKLLA-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H22N2O3S3/c1-2-24(20,21)17-7-3-5-13(12-17)16(19)18-8-10-23-15(18)11-14-6-4-9-22-14/h4,6,9,11,13H,2-3,5,7-8,10,12H2,1H3/b15-11+.
What are the key properties of (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone?
(1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 386.56 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-3-yl)-[(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 133203577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).