8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene

C13H15FN2O3S — CID 91802635

IUPAC8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(C=CNO2)CC1
InChIInChI=1S/C13H15FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-9-6-13(7-10-16)5-8-15-19-13/h1-5,8,15H,6-7,9-10H2
InChIKeyDZUMCRJXUUFPQH-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.40
Rot. Bonds2

About 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene

8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 91802635) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID91802635
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(C=CNO2)CC1
InChIInChI=1S/C13H15FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-9-6-13(7-10-16)5-8-15-19-13/h1-5,8,15H,6-7,9-10H2
InChIKeyDZUMCRJXUUFPQH-UHFFFAOYSA-N
XLogP1.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97397045
1-(4-fluorophenyl)sulfonylpiperazin-4-ium
CID 2063341
(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450586
(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97484696
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl]methanamine
CID 67504617
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146
8-(4-fluorophenyl)sulfonyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110504335
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonylpiperidin-4-ol
CID 652940
8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920529

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (CID 91802635) is 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is O=S(=O)(c1ccc(F)cc1)N1CCC2(C=CNO2)CC1.
What is the InChIKey of 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is DZUMCRJXUUFPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-9-6-13(7-10-16)5-8-15-19-13/h1-5,8,15H,6-7,9-10H2.
What are the key properties of 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 298.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 91802635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).