N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide

C16H20N2O3S2 — CID 1388261

IUPACN-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2SCC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C16H20N2O3S2/c1-12-7-9-14(10-8-12)23(20,21)17-16-18(15(19)11-22-16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChIKeyHENHUTTUYVIWFL-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.95
Rot. Bonds3

About N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide

N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 1388261) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID1388261
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2SCC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C16H20N2O3S2/c1-12-7-9-14(10-8-12)23(20,21)17-16-18(15(19)11-22-16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChIKeyHENHUTTUYVIWFL-UHFFFAOYSA-N
XLogP2.95
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide (CID 1388261) is N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2SCC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is HENHUTTUYVIWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-12-7-9-14(10-8-12)23(20,21)17-16-18(15(19)11-22-16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3.
What are the key properties of N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide?
N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 352.48 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1388261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).