3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine

C14H17FN2O4S — CID 154881507

IUPAC3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine
SMILESO=C(NC1CCCC2(CC2)C1)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C14H17FN2O4S/c15-22(19,20)21-12-6-10(8-16-9-12)13(18)17-11-2-1-3-14(7-11)4-5-14/h6,8-9,11H,1-5,7H2,(H,17,18)
InChIKeyRGIWWLBRQBCMPS-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.13
Rot. Bonds4

About 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine

3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine (PubChem CID 154881507) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine.

Molecular Properties

Compound Name3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine
PubChem CID154881507
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine
SMILESO=C(NC1CCCC2(CC2)C1)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C14H17FN2O4S/c15-22(19,20)21-12-6-10(8-16-9-12)13(18)17-11-2-1-3-14(7-11)4-5-14/h6,8-9,11H,1-5,7H2,(H,17,18)
InChIKeyRGIWWLBRQBCMPS-UHFFFAOYSA-N
XLogP2.13
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,2-dimethyloxan-4-yl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154880990
3-(cyclohex-3-en-1-ylcarbamoyl)-5-fluorosulfonyloxypyridine
CID 166417226
3-[[(3S)-1-ethylpiperidin-3-yl]carbamoyl]-5-fluorosulfonyloxypyridine
CID 167892659
3-[[(2R,4R)-2-ethyloxan-4-yl]carbamoyl]-5-fluorosulfonyloxypyridine
CID 154881252
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
3-[di(propan-2-yl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154881437
5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide
CID 75453330
3-fluorosulfonyloxy-5-(oxane-2-carbonylamino)pyridine
CID 154880909
3-fluorosulfonyloxy-5-(2-methylpentan-2-ylcarbamoyl)pyridine
CID 146097150
N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide
CID 113345728
(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid
CID 174219414
3-fluorosulfonyloxy-5-[methyl(propan-2-yl)carbamoyl]pyridine
CID 154880858

Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine?
The IUPAC name of 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine (CID 154881507) is 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine.
What is the SMILES notation for 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine?
The canonical SMILES for 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine is O=C(NC1CCCC2(CC2)C1)c1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine?
The InChIKey is RGIWWLBRQBCMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c15-22(19,20)21-12-6-10(8-16-9-12)13(18)17-11-2-1-3-14(7-11)4-5-14/h6,8-9,11H,1-5,7H2,(H,17,18).
What are the key properties of 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine?
3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine has a molecular weight of 328.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyloxy-5-(spiro[2.5]octan-7-ylcarbamoyl)pyridine is sourced from PubChem (CID 154881507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).