1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid

C10H10N4O4S2 — CID 79311323

IUPAC1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(S(=O)(=O)c3cccs3)C2)nn1
InChIInChI=1S/C10H10N4O4S2/c15-10(16)8-6-14(12-11-8)7-4-13(5-7)20(17,18)9-2-1-3-19-9/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyMPKDOAMDSNAICE-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.28
Rot. Bonds4

About 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid

1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid (PubChem CID 79311323) has the molecular formula C10H10N4O4S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
PubChem CID79311323
Molecular FormulaC10H10N4O4S2
Molecular Weight314.35 g/mol
Exact Mass314.01
IUPAC Name1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(S(=O)(=O)c3cccs3)C2)nn1
InChIInChI=1S/C10H10N4O4S2/c15-10(16)8-6-14(12-11-8)7-4-13(5-7)20(17,18)9-2-1-3-19-9/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyMPKDOAMDSNAICE-UHFFFAOYSA-N
XLogP0.28
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
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2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
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5-(1-thiophen-2-ylsulfonylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 121154557
1-[1-(furan-3-ylsulfonyl)piperidin-3-yl]triazole-4-carboxylic acid
CID 146092901
4-thiophen-2-ylsulfonylthiomorpholine
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3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 121188121
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
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CID 97169349
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
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1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid?
The IUPAC name of 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid (CID 79311323) is 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid is O=C(O)c1cn(C2CN(S(=O)(=O)c3cccs3)C2)nn1.
What is the InChIKey of 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid?
The InChIKey is MPKDOAMDSNAICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S2/c15-10(16)8-6-14(12-11-8)7-4-13(5-7)20(17,18)9-2-1-3-19-9/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid?
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid has a molecular weight of 314.35 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 79311323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).