2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid

C12H17NO5S2 — CID 107215850

IUPAC2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid
SMILESCC(C)C1(O)CN(S(=O)(=O)c2ccc(CC(=O)O)s2)C1
InChIInChI=1S/C12H17NO5S2/c1-8(2)12(16)6-13(7-12)20(17,18)11-4-3-9(19-11)5-10(14)15/h3-4,8,16H,5-7H2,1-2H3,(H,14,15)
InChIKeySQSYTYADCUIWLX-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.77
Rot. Bonds5

About 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid

2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid (PubChem CID 107215850) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid
PubChem CID107215850
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid
SMILESCC(C)C1(O)CN(S(=O)(=O)c2ccc(CC(=O)O)s2)C1
InChIInChI=1S/C12H17NO5S2/c1-8(2)12(16)6-13(7-12)20(17,18)11-4-3-9(19-11)5-10(14)15/h3-4,8,16H,5-7H2,1-2H3,(H,14,15)
InChIKeySQSYTYADCUIWLX-UHFFFAOYSA-N
XLogP0.77
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 63624288
2-[5-[3-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]acetic acid
CID 55030810
2-[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoic acid
CID 119208948
2-[5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]sulfonylthiophen-2-yl]acetic acid
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CID 107215836
2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid
CID 60952459
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
1-(3-amino-4-ethylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 107213011
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37133311

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid (CID 107215850) is 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid is CC(C)C1(O)CN(S(=O)(=O)c2ccc(CC(=O)O)s2)C1.
What is the InChIKey of 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid?
The InChIKey is SQSYTYADCUIWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-8(2)12(16)6-13(7-12)20(17,18)11-4-3-9(19-11)5-10(14)15/h3-4,8,16H,5-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid?
2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylthiophen-2-yl]acetic acid is sourced from PubChem (CID 107215850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).