3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine

C12H17FN2O4S — CID 146097150

IUPAC3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine
SMILESCCCC(C)(C)NC(=O)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C12H17FN2O4S/c1-4-5-12(2,3)15-11(16)9-6-10(8-14-7-9)19-20(13,17)18/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyOGUNEHDCOFIBJE-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.98
Rot. Bonds6

About 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine

3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine (PubChem CID 146097150) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine.

Molecular Properties

Compound Name3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine
PubChem CID146097150
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine
SMILESCCCC(C)(C)NC(=O)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C12H17FN2O4S/c1-4-5-12(2,3)15-11(16)9-6-10(8-14-7-9)19-20(13,17)18/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyOGUNEHDCOFIBJE-UHFFFAOYSA-N
XLogP1.98
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine?
The IUPAC name of 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine (CID 146097150) is 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine.
What is the SMILES notation for 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine?
The canonical SMILES for 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine is CCCC(C)(C)NC(=O)c1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine?
The InChIKey is OGUNEHDCOFIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-4-5-12(2,3)15-11(16)9-6-10(8-14-7-9)19-20(13,17)18/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine?
3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine has a molecular weight of 304.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine is sourced from PubChem (CID 146097150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).