4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid

C10H13NO6S2 — CID 55151125

IUPAC4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(=O)CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H13NO6S2/c1-11(4-3-9(12)17-2)19(15,16)7-5-8(10(13)14)18-6-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeySJTYGGYGMLKSTM-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.63
Rot. Bonds6

About 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid

4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 55151125) has the molecular formula C10H13NO6S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID55151125
Molecular FormulaC10H13NO6S2
Molecular Weight307.35 g/mol
Exact Mass307.02
IUPAC Name4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(=O)CCN(C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H13NO6S2/c1-11(4-3-9(12)17-2)19(15,16)7-5-8(10(13)14)18-6-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeySJTYGGYGMLKSTM-UHFFFAOYSA-N
XLogP0.63
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid (CID 55151125) is 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid is COC(=O)CCN(C)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SJTYGGYGMLKSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S2/c1-11(4-3-9(12)17-2)19(15,16)7-5-8(10(13)14)18-6-7/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55151125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).