N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide

C7H10N2O5S3 — CID 82842542

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C7H10N2O5S3/c1-5(10)6-3-15-7(8-6)9-17(13,14)4-16(2,11)12/h3H,4H2,1-2H3,(H,8,9)
InChIKeyALAGRTHURGPSSX-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.09
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide (PubChem CID 82842542) has the molecular formula C7H10N2O5S3 and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
PubChem CID82842542
Molecular FormulaC7H10N2O5S3
Molecular Weight298.37 g/mol
Exact Mass297.98
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C7H10N2O5S3/c1-5(10)6-3-15-7(8-6)9-17(13,14)4-16(2,11)12/h3H,4H2,1-2H3,(H,8,9)
InChIKeyALAGRTHURGPSSX-UHFFFAOYSA-N
XLogP0.09
TPSA110.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114815388
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114808715
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64544855
N-(4-acetyl-1,3-thiazol-2-yl)-5-amino-4-bromo-2-methylbenzenesulfonamide
CID 114625789
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
CID 63000153
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
CID 64557052
4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 64558473

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide (CID 82842542) is N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide is CC(=O)c1csc(NS(=O)(=O)CS(C)(=O)=O)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is ALAGRTHURGPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S3/c1-5(10)6-3-15-7(8-6)9-17(13,14)4-16(2,11)12/h3H,4H2,1-2H3,(H,8,9).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 298.37 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).