N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide

C17H22N2O4S2 — CID 35569450

IUPACN-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2N2C(=O)CSC2=O)c1
InChIInChI=1S/C17H22N2O4S2/c1-11-7-8-12(2)15(9-11)25(22,23)18-13-5-3-4-6-14(13)19-16(20)10-24-17(19)21/h7-9,13-14,18H,3-6,10H2,1-2H3/t13-,14+/m0/s1
InChIKeyOZTSQXINHYAZJV-UONOGXRCSA-N
MW382.51 g/mol
LogP2.59
Rot. Bonds4

About N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide

N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 35569450) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide
PubChem CID35569450
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2N2C(=O)CSC2=O)c1
InChIInChI=1S/C17H22N2O4S2/c1-11-7-8-12(2)15(9-11)25(22,23)18-13-5-3-4-6-14(13)19-16(20)10-24-17(19)21/h7-9,13-14,18H,3-6,10H2,1-2H3/t13-,14+/m0/s1
InChIKeyOZTSQXINHYAZJV-UONOGXRCSA-N
XLogP2.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide (CID 35569450) is N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2N2C(=O)CSC2=O)c1.
What is the InChIKey of N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is OZTSQXINHYAZJV-UONOGXRCSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-11-7-8-12(2)15(9-11)25(22,23)18-13-5-3-4-6-14(13)19-16(20)10-24-17(19)21/h7-9,13-14,18H,3-6,10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide?
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 35569450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).