3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine

C13H17FN2O5S — CID 154881252

IUPAC3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine
SMILESCC[C@@H]1C[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1
InChIInChI=1S/C13H17FN2O5S/c1-2-11-6-10(3-4-20-11)16-13(17)9-5-12(8-15-7-9)21-22(14,18)19/h5,7-8,10-11H,2-4,6H2,1H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyKASYGGVKIWEILQ-GHMZBOCLSA-N
MW332.35 g/mol
LogP1.36
Rot. Bonds5

About 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine

3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine (PubChem CID 154881252) has the molecular formula C13H17FN2O5S and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine.

Molecular Properties

Compound Name3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine
PubChem CID154881252
Molecular FormulaC13H17FN2O5S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine
SMILESCC[C@@H]1C[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1
InChIInChI=1S/C13H17FN2O5S/c1-2-11-6-10(3-4-20-11)16-13(17)9-5-12(8-15-7-9)21-22(14,18)19/h5,7-8,10-11H,2-4,6H2,1H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyKASYGGVKIWEILQ-GHMZBOCLSA-N
XLogP1.36
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,2-dimethyloxan-4-yl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154880990
3-[[(3S)-1-ethylpiperidin-3-yl]carbamoyl]-5-fluorosulfonyloxypyridine
CID 167892659
3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine
CID 166417226
3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine
CID 154881507
3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine
CID 146097150
3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine
CID 154880909
3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154881437
5-[[(2S,4R)-2-ethyloxan-4-yl]carbamoyl]thiophene-2-carboxylic acid
CID 125120812
3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine
CID 154881440
3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine
CID 154880858
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42845777

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine?
The IUPAC name of 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine (CID 154881252) is 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine.
What is the SMILES notation for 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine?
The canonical SMILES for 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine is CC[C@@H]1C[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)CCO1.
What is the InChIKey of 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine?
The InChIKey is KASYGGVKIWEILQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H17FN2O5S/c1-2-11-6-10(3-4-20-11)16-13(17)9-5-12(8-15-7-9)21-22(14,18)19/h5,7-8,10-11H,2-4,6H2,1H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine?
3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine has a molecular weight of 332.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine is sourced from PubChem (CID 154881252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).