2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H23FN2O4S — CID 72843957

IUPAC2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(S(=O)(=O)c3ccccc3F)C2)C1=O
InChIInChI=1S/C17H23FN2O4S/c1-24-12-11-19-9-4-7-17(16(19)21)8-10-20(13-17)25(22,23)15-6-3-2-5-14(15)18/h2-3,5-6H,4,7-13H2,1H3
InChIKeyLTEMEJUIMADGKL-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.48
Rot. Bonds5

About 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72843957) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72843957
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(S(=O)(=O)c3ccccc3F)C2)C1=O
InChIInChI=1S/C17H23FN2O4S/c1-24-12-11-19-9-4-7-17(16(19)21)8-10-20(13-17)25(22,23)15-6-3-2-5-14(15)18/h2-3,5-6H,4,7-13H2,1H3
InChIKeyLTEMEJUIMADGKL-UHFFFAOYSA-N
XLogP1.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72843957) is 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(S(=O)(=O)c3ccccc3F)C2)C1=O.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LTEMEJUIMADGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-24-12-11-19-9-4-7-17(16(19)21)8-10-20(13-17)25(22,23)15-6-3-2-5-14(15)18/h2-3,5-6H,4,7-13H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 370.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72843957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).