4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C13H17FN2O3S — CID 58245080

IUPAC4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOC12CCNCC2
InChIInChI=1S/C13H17FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-9-10-19-13(16)5-7-15-8-6-13/h1-4,15H,5-10H2
InChIKeyATCRNADKXAOFSR-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.93
Rot. Bonds2

About 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245080) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245080
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOC12CCNCC2
InChIInChI=1S/C13H17FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-9-10-19-13(16)5-7-15-8-6-13/h1-4,15H,5-10H2
InChIKeyATCRNADKXAOFSR-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245080) is 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(F)cc1)N1CCOC12CCNCC2.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is ATCRNADKXAOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-9-10-19-13(16)5-7-15-8-6-13/h1-4,15H,5-10H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 300.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).