8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane

C17H26FN3O3S — CID 131669233

IUPAC8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane
SMILESCCCS(=O)(=O)N1CC2(CC(COc3ncccc3F)CCN2C)C1
InChIInChI=1S/C17H26FN3O3S/c1-3-9-25(22,23)21-12-17(13-21)10-14(6-8-20(17)2)11-24-16-15(18)5-4-7-19-16/h4-5,7,14H,3,6,8-13H2,1-2H3
InChIKeyXZGUUIOXEAWFHK-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.74
Rot. Bonds6

About 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane

8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane (PubChem CID 131669233) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane
PubChem CID131669233
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane
SMILESCCCS(=O)(=O)N1CC2(CC(COc3ncccc3F)CCN2C)C1
InChIInChI=1S/C17H26FN3O3S/c1-3-9-25(22,23)21-12-17(13-21)10-14(6-8-20(17)2)11-24-16-15(18)5-4-7-19-16/h4-5,7,14H,3,6,8-13H2,1-2H3
InChIKeyXZGUUIOXEAWFHK-UHFFFAOYSA-N
XLogP1.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane (CID 131669233) is 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane is CCCS(=O)(=O)N1CC2(CC(COc3ncccc3F)CCN2C)C1.
What is the InChIKey of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane?
The InChIKey is XZGUUIOXEAWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-3-9-25(22,23)21-12-17(13-21)10-14(6-8-20(17)2)11-24-16-15(18)5-4-7-19-16/h4-5,7,14H,3,6,8-13H2,1-2H3.
What are the key properties of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane?
8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane has a molecular weight of 371.48 g/mol, XLogP of 1.74, 6 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]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 131669233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).