5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C13H21NO4S2 — CID 61027668

IUPAC5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H21NO4S2/c1-12(2,3)8-13(4,5)14-20(17,18)10-7-6-9(19-10)11(15)16/h6-7,14H,8H2,1-5H3,(H,15,16)
InChIKeyJPCMVYADKGUKEI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.94
Rot. Bonds5

About 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid

5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61027668) has the molecular formula C13H21NO4S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61027668
Molecular FormulaC13H21NO4S2
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC Name5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H21NO4S2/c1-12(2,3)8-13(4,5)14-20(17,18)10-7-6-9(19-10)11(15)16/h6-7,14H,8H2,1-5H3,(H,15,16)
InChIKeyJPCMVYADKGUKEI-UHFFFAOYSA-N
XLogP2.94
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2,4,4-trimethylpentan-2-yl)thiophene-2-sulfonamide
CID 60530946
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 79090371
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114107579
5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
CID 61026859
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413
5-[(3-bromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63334136

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 61027668) is 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid is CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is JPCMVYADKGUKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S2/c1-12(2,3)8-13(4,5)14-20(17,18)10-7-6-9(19-10)11(15)16/h6-7,14H,8H2,1-5H3,(H,15,16).
What are the key properties of 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 319.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,4-trimethylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61027668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).