2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid

C9H12N2O5S2 — CID 167926285

IUPAC2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC(=O)Nc1sccc1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H12N2O5S2/c1-11(18(2,15)16)5-7(12)10-8-6(9(13)14)3-4-17-8/h3-4H,5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyOMULEOYVSZUQFS-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.28
Rot. Bonds5

About 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid

2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid (PubChem CID 167926285) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
PubChem CID167926285
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Name2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC(=O)Nc1sccc1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H12N2O5S2/c1-11(18(2,15)16)5-7(12)10-8-6(9(13)14)3-4-17-8/h3-4H,5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyOMULEOYVSZUQFS-UHFFFAOYSA-N
XLogP0.28
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid 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

2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-[3-(methanesulfonamido)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106340230
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid (CID 167926285) is 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid is CN(CC(=O)Nc1sccc1C(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is OMULEOYVSZUQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c1-11(18(2,15)16)5-7(12)10-8-6(9(13)14)3-4-17-8/h3-4H,5H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid?
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 167926285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).