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

C11H17NO5S2 — CID 106168486

IUPAC4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCC(C)(CCO)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H17NO5S2/c1-3-11(2,4-5-13)12-19(16,17)8-6-9(10(14)15)18-7-8/h6-7,12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyLSKUOAPRYVYPEQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.28
Rot. Bonds7

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

4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106168486) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID106168486
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCC(C)(CCO)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H17NO5S2/c1-3-11(2,4-5-13)12-19(16,17)8-6-9(10(14)15)18-7-8/h6-7,12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyLSKUOAPRYVYPEQ-UHFFFAOYSA-N
XLogP1.28
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106095780
3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-4-methylbenzoic acid
CID 106168429
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106168460
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 106168486) is 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid is CCC(C)(CCO)NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is LSKUOAPRYVYPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-3-11(2,4-5-13)12-19(16,17)8-6-9(10(14)15)18-7-8/h6-7,12-13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106168486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).