N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C12H14N2O3S2 — CID 7343736

IUPACN-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCCN1C(=O)[C@H](C)SC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3S2/c1-3-14-11(15)9(2)18-12(14)13-19(16,17)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
InChIKeyDMWDUPRRXSLUMG-VIFPVBQESA-N
MW298.39 g/mol
LogP1.72
Rot. Bonds3

About N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 7343736) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID7343736
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCCN1C(=O)[C@H](C)SC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3S2/c1-3-14-11(15)9(2)18-12(14)13-19(16,17)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
InChIKeyDMWDUPRRXSLUMG-VIFPVBQESA-N
XLogP1.72
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 2141666
(NE)-4-bromo-N-(5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 6246576
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 42497013
2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6528950
N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide
CID 4520715
2-[(5S)-2-(benzenesulfonylimino)-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 42223517
N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273269
2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 4590729
2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 6158377
(NE)-N-[3-(4-ethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 6253069
2-[(5R)-2-(4-bromophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51567041
4-bromo-N-[(5S)-4-oxo-5-phenyl-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 51567026

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 7343736) is N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is CCN1C(=O)[C@H](C)SC1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is DMWDUPRRXSLUMG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-3-14-11(15)9(2)18-12(14)13-19(16,17)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 7343736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).