3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine

C12H13FN2O4S — CID 166417226

IUPAC3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine
SMILESO=C(NC1CC=CCC1)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C12H13FN2O4S/c13-20(17,18)19-11-6-9(7-14-8-11)12(16)15-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,15,16)
InChIKeyJZFRYJVWKSNHIF-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.51
Rot. Bonds4

About 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine

3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine (PubChem CID 166417226) has the molecular formula C12H13FN2O4S and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine
PubChem CID166417226
Molecular FormulaC12H13FN2O4S
Molecular Weight300.31 g/mol
Exact Mass300.06
IUPAC Name3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine
SMILESO=C(NC1CC=CCC1)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C12H13FN2O4S/c13-20(17,18)19-11-6-9(7-14-8-11)12(16)15-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,15,16)
InChIKeyJZFRYJVWKSNHIF-UHFFFAOYSA-N
XLogP1.51
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine?
The IUPAC name of 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine (CID 166417226) is 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine?
The canonical SMILES for 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine is O=C(NC1CC=CCC1)c1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine?
The InChIKey is JZFRYJVWKSNHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4S/c13-20(17,18)19-11-6-9(7-14-8-11)12(16)15-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,15,16).
What are the key properties of 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine?
3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine has a molecular weight of 300.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine is sourced from PubChem (CID 166417226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).