3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine

C11H13FN2O5S — CID 154880909

IUPAC3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine
SMILESO=C(Nc1cncc(OS(=O)(=O)F)c1)C1CCCCO1
InChIInChI=1S/C11H13FN2O5S/c12-20(16,17)19-9-5-8(6-13-7-9)14-11(15)10-3-1-2-4-18-10/h5-7,10H,1-4H2,(H,14,15)
InChIKeyAJUUHUXFWHWAEJ-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.18
Rot. Bonds4

About 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine

3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine (PubChem CID 154880909) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine.

Molecular Properties

Compound Name3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine
PubChem CID154880909
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine
SMILESO=C(Nc1cncc(OS(=O)(=O)F)c1)C1CCCCO1
InChIInChI=1S/C11H13FN2O5S/c12-20(16,17)19-9-5-8(6-13-7-9)14-11(15)10-3-1-2-4-18-10/h5-7,10H,1-4H2,(H,14,15)
InChIKeyAJUUHUXFWHWAEJ-UHFFFAOYSA-N
XLogP1.18
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluorosulfonyloxy-5-[(2-methylcyclopentanecarbonyl)amino]pyridine
CID 166419597
3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine
CID 154873144
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
5-(oxane-2-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62214026
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594
3-fluorosulfonyloxy-5-[[1-(triazol-2-yl)cyclopropanecarbonyl]amino]pyridine
CID 154873154
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044

Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine?
The IUPAC name of 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine (CID 154880909) is 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine.
What is the SMILES notation for 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine?
The canonical SMILES for 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine is O=C(Nc1cncc(OS(=O)(=O)F)c1)C1CCCCO1.
What is the InChIKey of 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine?
The InChIKey is AJUUHUXFWHWAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c12-20(16,17)19-9-5-8(6-13-7-9)14-11(15)10-3-1-2-4-18-10/h5-7,10H,1-4H2,(H,14,15).
What are the key properties of 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine?
3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine has a molecular weight of 304.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine is sourced from PubChem (CID 154880909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).