(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C14H17N3O3S2 — CID 6323881

IUPAC(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCCN1C(=O)/C(=C\N(C)C)S/C1=N\S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H17N3O3S2/c1-4-17-13(18)12(10-16(2)3)21-14(17)15-22(19,20)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b12-10+,15-14-
InChIKeyCJKZMUGMNLRVRH-QLARYACXSA-N
MW339.44 g/mol
LogP1.73
Rot. Bonds4

About (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 6323881) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID6323881
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCCN1C(=O)/C(=C\N(C)C)S/C1=N\S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H17N3O3S2/c1-4-17-13(18)12(10-16(2)3)21-14(17)15-22(19,20)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b12-10+,15-14-
InChIKeyCJKZMUGMNLRVRH-QLARYACXSA-N
XLogP1.73
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(dimethylaminomethylidene)-3-(4-methylphenyl)sulfonyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
CID 1784127
N-[(2Z)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660718
N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660877
N-[(2Z)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 6516792
(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 6507305
N-[(2E,5E)-5-[(Dimethylamino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2133645
(E)-N-(3-cyclohexyl-4-oxothiazolidin-2-ylidene)benzenesulfonamide
CID 5640470
(NZ)-N-(5,5-dimethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 18774904
N-[(2E,5E)-5-[(dimethylamino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzene-1-sulfonamide
CID 2133648
N-[3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2133650
N-[(2E)-3-Ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2341102
CID 3683002
CID 3683002

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 6323881) is (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is CCN1C(=O)/C(=C\N(C)C)S/C1=N\S(=O)(=O)c1ccccc1.
What is the InChIKey of (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is CJKZMUGMNLRVRH-QLARYACXSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-4-17-13(18)12(10-16(2)3)21-14(17)15-22(19,20)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b12-10+,15-14-.
What are the key properties of (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 339.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 6323881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).