3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C11H17NO6S2 — CID 106244525

IUPAC3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCOCC(O)CCNS(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C11H17NO6S2/c1-7-6-19-9(11(14)15)10(7)20(16,17)12-4-3-8(13)5-18-2/h6,8,12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyRUAKQPYHPNGZQK-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.43
Rot. Bonds8

About 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 106244525) has the molecular formula C11H17NO6S2 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID106244525
Molecular FormulaC11H17NO6S2
Molecular Weight323.39 g/mol
Exact Mass323.05
IUPAC Name3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCOCC(O)CCNS(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C11H17NO6S2/c1-7-6-19-9(11(14)15)10(7)20(16,17)12-4-3-8(13)5-18-2/h6,8,12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyRUAKQPYHPNGZQK-UHFFFAOYSA-N
XLogP0.43
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3-hydroxypentylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749328
3-[(3-methoxy-3-oxopropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748133
3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102749185
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
CID 106150803
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
4-methyl-3-(3-methylsulfinylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 102749301
3-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106305301
3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749291
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103875890
3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747994
4-methyl-3-(2-prop-2-ynylsulfanylethylsulfamoyl)thiophene-2-carboxylic acid
CID 114187437

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 106244525) is 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is COCC(O)CCNS(=O)(=O)c1c(C)csc1C(=O)O.
What is the InChIKey of 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is RUAKQPYHPNGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S2/c1-7-6-19-9(11(14)15)10(7)20(16,17)12-4-3-8(13)5-18-2/h6,8,12-13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 106244525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).