2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid

C11H17NO5S2 — CID 79386899

IUPAC2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H17NO5S2/c1-11(2,15)7-12(3)19(16,17)10-5-4-8(18-10)6-9(13)14/h4-5,15H,6-7H2,1-3H3,(H,13,14)
InChIKeyNQUKSUFVNJULBY-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.77
Rot. Bonds6

About 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 79386899) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
PubChem CID79386899
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H17NO5S2/c1-11(2,15)7-12(3)19(16,17)10-5-4-8(18-10)6-9(13)14/h4-5,15H,6-7H2,1-3H3,(H,13,14)
InChIKeyNQUKSUFVNJULBY-UHFFFAOYSA-N
XLogP0.77
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid (CID 79386899) is 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid is CN(CC(C)(C)O)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is NQUKSUFVNJULBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-11(2,15)7-12(3)19(16,17)10-5-4-8(18-10)6-9(13)14/h4-5,15H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 307.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 79386899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).