8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane

C15H21FN2O4S — CID 131692014

IUPAC8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)S(=O)(=O)N1CC2(C1)OCCC2COc1ncccc1F
InChIInChI=1S/C15H21FN2O4S/c1-11(2)23(19,20)18-9-15(10-18)12(5-7-22-15)8-21-14-13(16)4-3-6-17-14/h3-4,6,11-12H,5,7-10H2,1-2H3
InChIKeyHWOZRXYZJJQQJB-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.43
Rot. Bonds5

About 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane

8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 131692014) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID131692014
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)S(=O)(=O)N1CC2(C1)OCCC2COc1ncccc1F
InChIInChI=1S/C15H21FN2O4S/c1-11(2)23(19,20)18-9-15(10-18)12(5-7-22-15)8-21-14-13(16)4-3-6-17-14/h3-4,6,11-12H,5,7-10H2,1-2H3
InChIKeyHWOZRXYZJJQQJB-UHFFFAOYSA-N
XLogP1.43
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

8-[(3-fluoro-2-pyridinyl)oxymethyl]-N,N-dimethyl-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 131639733
2-propan-2-ylsulfonyl-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862638
1-[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-3-methylbutan-1-one;2,2,2-trifluoroacetic acid
CID 155861006
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
CID 131660991
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 131640418
(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124782593
6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
CID 124816596
1-[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 155865636
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(pyridin-4-ylmethyl)-5-oxa-2-azaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155866493
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155863813
(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124781639
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1H-indol-3-yl)methanone
CID 131669307

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane (CID 131692014) is 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane is CC(C)S(=O)(=O)N1CC2(C1)OCCC2COc1ncccc1F.
What is the InChIKey of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is HWOZRXYZJJQQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-11(2)23(19,20)18-9-15(10-18)12(5-7-22-15)8-21-14-13(16)4-3-6-17-14/h3-4,6,11-12H,5,7-10H2,1-2H3.
What are the key properties of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane?
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 344.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 131692014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).