(NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide

C15H18N2O3S2 — CID 18774904

IUPAC(NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
SMILESC=CCN1C(=O)C(C)(C)S/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3S2/c1-5-10-17-13(18)15(3,4)21-14(17)16-22(19,20)12-8-6-11(2)7-9-12/h5-9H,1,10H2,2-4H3/b16-14-
InChIKeyGFKDATHCFCTGQP-PEZBUJJGSA-N
MW338.45 g/mol
LogP2.58
Rot. Bonds4

About (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide

(NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 18774904) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID18774904
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name(NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
SMILESC=CCN1C(=O)C(C)(C)S/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3S2/c1-5-10-17-13(18)15(3,4)21-14(17)16-22(19,20)12-8-6-11(2)7-9-12/h5-9H,1,10H2,2-4H3/b16-14-
InChIKeyGFKDATHCFCTGQP-PEZBUJJGSA-N
XLogP2.58
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
2-[(Z)-Allylimino]-3-(toluene-4-sulfonyl)-thiazolidin-4-one
CID 655314
2-(1-Azabut-3-enylidene)-5-ethyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidin-4-one
CID 4159425
(2Z)-2-(allylimino)-5,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidin-4-one
CID 1581676
(5Z)-5-(dimethylaminomethylidene)-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
CID 1784127
N,4-dimethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide
CID 770953
N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660877
3-methyl-6-{[(4-methylphenyl)sulfonyl]methyl}-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
CID 666352
N-[(2Z)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 6516792
N-[(2E,5E)-5-[(dimethylamino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzene-1-sulfonamide
CID 6507305
N-[(2E,5E)-5-[(Dimethylamino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6323881
[(E)-(E)-5-(dimethylamino)methylene-3-ethyl-4-oxo-1,3-thiazolidin-2-ylideneamino](oxo)(phenyl)-lambda-sulfaniumolate
CID 2133645

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide (CID 18774904) is (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide is C=CCN1C(=O)C(C)(C)S/C1=N\S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is GFKDATHCFCTGQP-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-5-10-17-13(18)15(3,4)21-14(17)16-22(19,20)12-8-6-11(2)7-9-12/h5-9H,1,10H2,2-4H3/b16-14-.
What are the key properties of (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 338.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 18774904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).