5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid

C9H13NO5S2 — CID 43498976

IUPAC5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESCCC(CO)NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C9H13NO5S2/c1-2-7(4-11)10-17(14,15)8-3-6(5-16-8)9(12)13/h3,5,7,10-11H,2,4H2,1H3,(H,12,13)
InChIKeyMSCAWWJJZPVVHL-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.50
Rot. Bonds6

About 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid

5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 43498976) has the molecular formula C9H13NO5S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID43498976
Molecular FormulaC9H13NO5S2
Molecular Weight279.34 g/mol
Exact Mass279.02
IUPAC Name5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESCCC(CO)NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C9H13NO5S2/c1-2-7(4-11)10-17(14,15)8-3-6(5-16-8)9(12)13/h3,5,7,10-11H,2,4H2,1H3,(H,12,13)
InChIKeyMSCAWWJJZPVVHL-UHFFFAOYSA-N
XLogP0.50
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
4-chloro-3-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216345
5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 104654871
3-(1-hydroxybutan-2-ylsulfamoyl)-4-methoxybenzoic acid
CID 43416589
3,4-difluoro-5-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216179
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43229148
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid (CID 43498976) is 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid is CCC(CO)NS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is MSCAWWJJZPVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S2/c1-2-7(4-11)10-17(14,15)8-3-6(5-16-8)9(12)13/h3,5,7,10-11H,2,4H2,1H3,(H,12,13).
What are the key properties of 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid?
5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 43498976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).