3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid

C11H15NO6S2 — CID 43714462

IUPAC3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid
SMILESCOC(=O)CC(NS(=O)(=O)CCC(=O)O)c1cccs1
InChIInChI=1S/C11H15NO6S2/c1-18-11(15)7-8(9-3-2-5-19-9)12-20(16,17)6-4-10(13)14/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,14)
InChIKeyBVVMUNYBBGSQFR-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.75
Rot. Bonds8

About 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid

3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid (PubChem CID 43714462) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid
PubChem CID43714462
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Name3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid
SMILESCOC(=O)CC(NS(=O)(=O)CCC(=O)O)c1cccs1
InChIInChI=1S/C11H15NO6S2/c1-18-11(15)7-8(9-3-2-5-19-9)12-20(16,17)6-4-10(13)14/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,14)
InChIKeyBVVMUNYBBGSQFR-UHFFFAOYSA-N
XLogP0.75
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic 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

methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
3-(bromomethylsulfonylamino)-3-thiophen-2-ylpropanoic acid
CID 83083626
methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 46514642
methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 39983352
methyl 3-(1-methylsulfonylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 64630549
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987
methyl (3S)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062744
methyl (3R)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062745
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514669
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid (CID 43714462) is 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid is COC(=O)CC(NS(=O)(=O)CCC(=O)O)c1cccs1.
What is the InChIKey of 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid?
The InChIKey is BVVMUNYBBGSQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-18-11(15)7-8(9-3-2-5-19-9)12-20(16,17)6-4-10(13)14/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,14).
What are the key properties of 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid?
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid has a molecular weight of 321.38 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43714462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).