4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C9H13NO6S2 — CID 106185920

IUPAC4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCC(CO)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H13NO6S2/c1-16-4-6(3-11)10-18(14,15)7-2-8(9(12)13)17-5-7/h2,5-6,10-11H,3-4H2,1H3,(H,12,13)
InChIKeyHFBIMCUXWSMZDR-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.27
Rot. Bonds7

About 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106185920) has the molecular formula C9H13NO6S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID106185920
Molecular FormulaC9H13NO6S2
Molecular Weight295.34 g/mol
Exact Mass295.02
IUPAC Name4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCC(CO)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H13NO6S2/c1-16-4-6(3-11)10-18(14,15)7-2-8(9(12)13)17-5-7/h2,5-6,10-11H,3-4H2,1H3,(H,12,13)
InChIKeyHFBIMCUXWSMZDR-UHFFFAOYSA-N
XLogP-0.27
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 82945758
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073022
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81399028
2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185831
5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106185878
4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81356153
(2R)-2-[(5-carbamoylthiophen-3-yl)sulfonylamino]propanoic acid
CID 40634872

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 106185920) is 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is COCC(CO)NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HFBIMCUXWSMZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6S2/c1-16-4-6(3-11)10-18(14,15)7-2-8(9(12)13)17-5-7/h2,5-6,10-11H,3-4H2,1H3,(H,12,13).
What are the key properties of 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106185920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).