1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid

C9H10N2O4S — CID 46885598

IUPAC1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C9H10N2O4S/c12-9(13)8-3-5-11(8)16(14,15)7-2-1-4-10-6-7/h1-2,4,6,8H,3,5H2,(H,12,13)
InChIKeyJYQJZOSOZTWNRJ-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.07
Rot. Bonds3

About 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid

1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid (PubChem CID 46885598) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid
PubChem CID46885598
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C9H10N2O4S/c12-9(13)8-3-5-11(8)16(14,15)7-2-1-4-10-6-7/h1-2,4,6,8H,3,5H2,(H,12,13)
InChIKeyJYQJZOSOZTWNRJ-UHFFFAOYSA-N
XLogP-0.07
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid?
The IUPAC name of 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid (CID 46885598) is 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid.
What is the SMILES notation for 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid?
The canonical SMILES for 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid is O=C(O)C1CCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid?
The InChIKey is JYQJZOSOZTWNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c12-9(13)8-3-5-11(8)16(14,15)7-2-1-4-10-6-7/h1-2,4,6,8H,3,5H2,(H,12,13).
What are the key properties of 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid?
1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid has a molecular weight of 242.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonylazetidine-2-carboxylic acid is sourced from PubChem (CID 46885598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).