2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid

C12H17NO5S2 — CID 114628923

IUPAC2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H17NO5S2/c1-12(2)8(6-9(12)14)13-20(17,18)11-4-3-7(19-11)5-10(15)16/h3-4,8-9,13-14H,5-6H2,1-2H3,(H,15,16)
InChIKeyPVXZFYOMFOKRAE-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.81
Rot. Bonds5

About 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 114628923) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID114628923
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H17NO5S2/c1-12(2)8(6-9(12)14)13-20(17,18)11-4-3-7(19-11)5-10(15)16/h3-4,8-9,13-14H,5-6H2,1-2H3,(H,15,16)
InChIKeyPVXZFYOMFOKRAE-UHFFFAOYSA-N
XLogP0.81
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 107216240
2-[5-[(5-oxopyrrolidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 106185258
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332
2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid
CID 106120467
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63661363
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114628940
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 113495561

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 114628923) is 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid is CC1(C)C(O)CC1NS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is PVXZFYOMFOKRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-12(2)8(6-9(12)14)13-20(17,18)11-4-3-7(19-11)5-10(15)16/h3-4,8-9,13-14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 114628923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).