3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one

C15H19N3O4S2 — CID 9087029

IUPAC3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19N3O4S2/c19-14(12-17-10-11-23-15(17)20)16-6-8-18(9-7-16)24(21,22)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyJRQYJPOKVYFCMZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.69
Rot. Bonds4

About 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one

3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one (PubChem CID 9087029) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
PubChem CID9087029
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19N3O4S2/c19-14(12-17-10-11-23-15(17)20)16-6-8-18(9-7-16)24(21,22)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyJRQYJPOKVYFCMZ-UHFFFAOYSA-N
XLogP0.69
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
1,4-Bis(phenylsulfonyl)tetrahydropyrazine-2,5-dione
CID 12037467
N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2985919
1,4-Bis(benzenesulfonyl)piperazin-2-one
CID 1214431
2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid
CID 2458793
2-Phenylsulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2713014
4-fluoro-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 895452
1-(4-Methylsulfonylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 2971495
2-[4-(Benzenesulfonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 16318961
N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660877
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 2649585
3-[2-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9156655

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one (CID 9087029) is 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one is O=C(CN1CCSC1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The InChIKey is JRQYJPOKVYFCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c19-14(12-17-10-11-23-15(17)20)16-6-8-18(9-7-16)24(21,22)13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 9087029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).