N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide

C13H19N3O3S2 — CID 119329973

IUPACN-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C13H19N3O3S2/c1-2-6-21(18,19)16-11-5-3-4-10(7-11)15-13(17)12-8-20-9-14-12/h3-5,7,12,14,16H,2,6,8-9H2,1H3,(H,15,17)
InChIKeyNCBAZTDEDJTYKH-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.44
Rot. Bonds6

About N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide

N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119329973) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119329973
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC NameN-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C13H19N3O3S2/c1-2-6-21(18,19)16-11-5-3-4-10(7-11)15-13(17)12-8-20-9-14-12/h3-5,7,12,14,16H,2,6,8-9H2,1H3,(H,15,17)
InChIKeyNCBAZTDEDJTYKH-UHFFFAOYSA-N
XLogP1.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
N-[3-(tert-butylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119270867
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830904
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269

Frequently Asked Questions

What is the IUPAC name of N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide (CID 119329973) is N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide is CCCS(=O)(=O)Nc1cccc(NC(=O)C2CSCN2)c1.
What is the InChIKey of N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NCBAZTDEDJTYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-2-6-21(18,19)16-11-5-3-4-10(7-11)15-13(17)12-8-20-9-14-12/h3-5,7,12,14,16H,2,6,8-9H2,1H3,(H,15,17).
What are the key properties of N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119329973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).