3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C11H17NO5S2 — CID 102748874

IUPAC3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCC(C)(CO)NS(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C11H17NO5S2/c1-4-11(3,6-13)12-19(16,17)9-7(2)5-18-8(9)10(14)15/h5,12-13H,4,6H2,1-3H3,(H,14,15)
InChIKeyIBVRSXAVUMMNAN-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.19
Rot. Bonds6

About 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102748874) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102748874
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCC(C)(CO)NS(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C11H17NO5S2/c1-4-11(3,6-13)12-19(16,17)9-7(2)5-18-8(9)10(14)15/h5,12-13H,4,6H2,1-3H3,(H,14,15)
InChIKeyIBVRSXAVUMMNAN-UHFFFAOYSA-N
XLogP1.19
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 64551364
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 64557626
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 64551163
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102749031
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 64549084
3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747994
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102748091
3-[(3-methoxy-3-oxopropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748133

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102748874) is 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is CCC(C)(CO)NS(=O)(=O)c1c(C)csc1C(=O)O.
What is the InChIKey of 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is IBVRSXAVUMMNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-4-11(3,6-13)12-19(16,17)9-7(2)5-18-8(9)10(14)15/h5,12-13H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102748874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).