N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide

C11H14N2O3S2 — CID 54862152

IUPACN-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C11H14N2O3S2/c1-18(15,16)9-4-2-3-8(5-9)13-11(14)10-6-17-7-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyQHUVCNFVUMTKJU-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.69
Rot. Bonds3

About N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide

N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54862152) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54862152
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C11H14N2O3S2/c1-18(15,16)9-4-2-3-8(5-9)13-11(14)10-6-17-7-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyQHUVCNFVUMTKJU-UHFFFAOYSA-N
XLogP0.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119270867
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329159
N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329973
N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81433795
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830904
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43708243
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide (CID 54862152) is N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is CS(=O)(=O)c1cccc(NC(=O)C2CSCN2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QHUVCNFVUMTKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-18(15,16)9-4-2-3-8(5-9)13-11(14)10-6-17-7-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54862152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).