3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine

C12H15FN2O5S — CID 154873144

IUPAC3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine
SMILESO=C(CC1CCCOC1)Nc1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C12H15FN2O5S/c13-21(17,18)20-11-5-10(6-14-7-11)15-12(16)4-9-2-1-3-19-8-9/h5-7,9H,1-4,8H2,(H,15,16)
InChIKeyLMKISDUHNKILJM-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.43
Rot. Bonds5

About 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine

3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine (PubChem CID 154873144) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine.

Molecular Properties

Compound Name3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine
PubChem CID154873144
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine
SMILESO=C(CC1CCCOC1)Nc1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C12H15FN2O5S/c13-21(17,18)20-11-5-10(6-14-7-11)15-12(16)4-9-2-1-3-19-8-9/h5-7,9H,1-4,8H2,(H,15,16)
InChIKeyLMKISDUHNKILJM-UHFFFAOYSA-N
XLogP1.43
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine
CID 154880909
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
CID 134702628
N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058
N-(5-bromo-3-pyridinyl)-2-cyclopropylacetamide
CID 130164428
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
CID 110863811
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 131932133
N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide
CID 136568049

Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine?
The IUPAC name of 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine (CID 154873144) is 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine.
What is the SMILES notation for 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine?
The canonical SMILES for 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine is O=C(CC1CCCOC1)Nc1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine?
The InChIKey is LMKISDUHNKILJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c13-21(17,18)20-11-5-10(6-14-7-11)15-12(16)4-9-2-1-3-19-8-9/h5-7,9H,1-4,8H2,(H,15,16).
What are the key properties of 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine?
3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine has a molecular weight of 318.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyloxy-5-[[2-(oxan-3-yl)acetyl]amino]pyridine is sourced from PubChem (CID 154873144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).