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

C12H17N3O3S2 — CID 43702511

IUPACN-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CSCN2)cc1
InChIInChI=1S/C12H17N3O3S2/c1-15(2)20(17,18)10-5-3-9(4-6-10)14-12(16)11-7-19-8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyOICJKHBGMHKNPP-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.54
Rot. Bonds4

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

N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43702511) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43702511
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CSCN2)cc1
InChIInChI=1S/C12H17N3O3S2/c1-15(2)20(17,18)10-5-3-9(4-6-10)14-12(16)11-7-19-8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyOICJKHBGMHKNPP-UHFFFAOYSA-N
XLogP0.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119277760
N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329159
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119042537
N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 43702511) is N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)C2CSCN2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OICJKHBGMHKNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-15(2)20(17,18)10-5-3-9(4-6-10)14-12(16)11-7-19-8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43702511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).