2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid

C11H15NO4S2 — CID 113467124

IUPAC2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC1CC(NS(=O)(=O)c2ccc(CC(=O)O)s2)C1
InChIInChI=1S/C11H15NO4S2/c1-7-4-8(5-7)12-18(15,16)11-3-2-9(17-11)6-10(13)14/h2-3,7-8,12H,4-6H2,1H3,(H,13,14)
InChIKeyYUBQEPWYAFFCHU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.45
Rot. Bonds5

About 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 113467124) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID113467124
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC1CC(NS(=O)(=O)c2ccc(CC(=O)O)s2)C1
InChIInChI=1S/C11H15NO4S2/c1-7-4-8(5-7)12-18(15,16)11-3-2-9(17-11)6-10(13)14/h2-3,7-8,12H,4-6H2,1H3,(H,13,14)
InChIKeyYUBQEPWYAFFCHU-UHFFFAOYSA-N
XLogP1.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64734291
2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114628923
2-[5-[(5-oxopyrrolidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 106185258
2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63661363
2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 107216240
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332
4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61454626
2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid
CID 106120467
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
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-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 113467124) is 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid is CC1CC(NS(=O)(=O)c2ccc(CC(=O)O)s2)C1.
What is the InChIKey of 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is YUBQEPWYAFFCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-7-4-8(5-7)12-18(15,16)11-3-2-9(17-11)6-10(13)14/h2-3,7-8,12H,4-6H2,1H3,(H,13,14).
What are the key properties of 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 113467124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).