3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid

C11H17NO5S2 — CID 102749031

IUPAC3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NC(C)CCCO
InChIInChI=1S/C11H17NO5S2/c1-7-6-18-9(11(14)15)10(7)19(16,17)12-8(2)4-3-5-13/h6,8,12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyYCECMAYNTXDIGI-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.19
Rot. Bonds7

About 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid

3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 102749031) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid
PubChem CID102749031
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NC(C)CCCO
InChIInChI=1S/C11H17NO5S2/c1-7-6-18-9(11(14)15)10(7)19(16,17)12-8(2)4-3-5-13/h6,8,12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyYCECMAYNTXDIGI-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(octan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102748162
3-(heptan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102748093
4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102748091
3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747994
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
3-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106305301
4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748027
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748874
3-(4-hydroxybutan-2-ylsulfamoyl)-1-benzothiophene-2-carboxylic acid
CID 83178795
N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97051720
3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106244525
4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid (CID 102749031) is 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NC(C)CCCO.
What is the InChIKey of 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is YCECMAYNTXDIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-7-6-18-9(11(14)15)10(7)19(16,17)12-8(2)4-3-5-13/h6,8,12-13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102749031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).