5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid

C11H18N2O5S2 — CID 106142997

IUPAC5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H18N2O5S2/c1-11(16,7-13(2)3)6-12-20(17,18)9-4-8(5-19-9)10(14)15/h4-5,12,16H,6-7H2,1-3H3,(H,14,15)
InChIKeyFGLXXQSVVOINKG-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.04
Rot. Bonds7

About 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid

5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 106142997) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID106142997
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Name5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H18N2O5S2/c1-11(16,7-13(2)3)6-12-20(17,18)9-4-8(5-19-9)10(14)15/h4-5,12,16H,6-7H2,1-3H3,(H,14,15)
InChIKeyFGLXXQSVVOINKG-UHFFFAOYSA-N
XLogP0.04
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]thiophene-3-carboxylic acid
CID 106145745
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 105413237
5-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 115282496
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114107620
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114099312
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid (CID 106142997) is 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid is CN(C)CC(C)(O)CNS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is FGLXXQSVVOINKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-11(16,7-13(2)3)6-12-20(17,18)9-4-8(5-19-9)10(14)15/h4-5,12,16H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 106142997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).