methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate

C9H13NO5S2 — CID 55014356

IUPACmethyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
SMILESCOCCS(=O)(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C9H13NO5S2/c1-14-4-6-17(12,13)10-7-3-5-16-8(7)9(11)15-2/h3,5,10H,4,6H2,1-2H3
InChIKeyDEJOZXOSGLZJSU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.92
Rot. Bonds6

About methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate

methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate (PubChem CID 55014356) has the molecular formula C9H13NO5S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
PubChem CID55014356
Molecular FormulaC9H13NO5S2
Molecular Weight279.34 g/mol
Exact Mass279.02
IUPAC Namemethyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
SMILESCOCCS(=O)(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C9H13NO5S2/c1-14-4-6-17(12,13)10-7-3-5-16-8(7)9(11)15-2/h3,5,10H,4,6H2,1-2H3
InChIKeyDEJOZXOSGLZJSU-UHFFFAOYSA-N
XLogP0.92
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate 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

methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
CID 114811453
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
CID 55174697
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
CID 43624381
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 47309729
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate
CID 62047916
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate (CID 55014356) is methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate is COCCS(=O)(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate?
The InChIKey is DEJOZXOSGLZJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S2/c1-14-4-6-17(12,13)10-7-3-5-16-8(7)9(11)15-2/h3,5,10H,4,6H2,1-2H3.
What are the key properties of methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate?
methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 55014356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).