3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline

C11H17N3O4S2 — CID 110621354

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline
SMILESCCNS(=O)(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C11H17N3O4S2/c1-2-12-20(17,18)13-10-5-3-6-11(9-10)14-7-4-8-19(14,15)16/h3,5-6,9,12-13H,2,4,7-8H2,1H3
InChIKeyCEKFUCKNRMLUAZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.49
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline (PubChem CID 110621354) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline
PubChem CID110621354
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline
SMILESCCNS(=O)(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C11H17N3O4S2/c1-2-12-20(17,18)13-10-5-3-6-11(9-10)14-7-4-8-19(14,15)16/h3,5-6,9,12-13H,2,4,7-8H2,1H3
InChIKeyCEKFUCKNRMLUAZ-UHFFFAOYSA-N
XLogP0.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclopentanesulfonamide
CID 110302255
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 112503000
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 110624195
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
CID 7483034
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide
CID 112505540
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline (CID 110621354) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline is CCNS(=O)(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline?
The InChIKey is CEKFUCKNRMLUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-2-12-20(17,18)13-10-5-3-6-11(9-10)14-7-4-8-19(14,15)16/h3,5-6,9,12-13H,2,4,7-8H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline has a molecular weight of 319.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline is sourced from PubChem (CID 110621354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).