3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine

C13H17FN2O5S — CID 154881440

IUPAC3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine
SMILESCOCC1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C13H17FN2O5S/c1-20-9-11-4-2-3-5-16(11)13(17)10-6-12(8-15-7-10)21-22(14,18)19/h6-8,11H,2-5,9H2,1H3
InChIKeyDECKZCLABQUGBO-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.32
Rot. Bonds5

About 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine

3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine (PubChem CID 154881440) has the molecular formula C13H17FN2O5S and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine.

Molecular Properties

Compound Name3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine
PubChem CID154881440
Molecular FormulaC13H17FN2O5S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine
SMILESCOCC1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C13H17FN2O5S/c1-20-9-11-4-2-3-5-16(11)13(17)10-6-12(8-15-7-10)21-22(14,18)19/h6-8,11H,2-5,9H2,1H3
InChIKeyDECKZCLABQUGBO-UHFFFAOYSA-N
XLogP1.32
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-fluorosulfonyloxypyridine-3-carbonyl)-3-methyl-1,4-thiazepane
CID 154880884
[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone
CID 156607723
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 118775706
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
CID 141275744
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
3-[[(3S)-1-ethylpiperidin-3-yl]carbamoyl]-5-fluorosulfonyloxypyridine
CID 167892659
cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 26398196
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763

Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine?
The IUPAC name of 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine (CID 154881440) is 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine.
What is the SMILES notation for 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine?
The canonical SMILES for 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine is COCC1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine?
The InChIKey is DECKZCLABQUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O5S/c1-20-9-11-4-2-3-5-16(11)13(17)10-6-12(8-15-7-10)21-22(14,18)19/h6-8,11H,2-5,9H2,1H3.
What are the key properties of 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine?
3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine has a molecular weight of 332.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyloxy-5-[2-(methoxymethyl)piperidine-1-carbonyl]pyridine is sourced from PubChem (CID 154881440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).