8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C13H15F2NO3S2 — CID 56764688

IUPAC8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H15F2NO3S2/c14-10-2-1-3-11(15)12(10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h1-3H,4-9H2
InChIKeyUDHLMSVXSRXMPH-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.21
Rot. Bonds2

About 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 56764688) has the molecular formula C13H15F2NO3S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID56764688
Molecular FormulaC13H15F2NO3S2
Molecular Weight335.40 g/mol
Exact Mass335.05
IUPAC Name8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H15F2NO3S2/c14-10-2-1-3-11(15)12(10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h1-3H,4-9H2
InChIKeyUDHLMSVXSRXMPH-UHFFFAOYSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,5-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464811
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
1-((3,5-Difluorophenyl)sulfonyl)-4-methoxypiperidine
CID 49720668
8-(3-Chloro-4-fluorobenzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764696
1-((3,4-Difluorophenyl)sulfonyl)-4-(methylsulfonyl)piperidine
CID 71805714
8-((3,4-Difluorophenyl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510721
8-(3,4,5-Trifluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 155515327
8-(Phenylsulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764679
8-(2,6-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6733332
1-((2,4-Difluorophenyl)sulfonyl)-4-methoxypiperidine
CID 49720653
1-((2,6-Difluorophenyl)sulfonyl)-4-methoxypiperidine
CID 49720660
1-((2,5-Difluorophenyl)sulfonyl)-4-methoxypiperidine
CID 49720664

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 56764688) is 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is O=S(=O)(c1c(F)cccc1F)N1CCC2(CC1)OCCS2.
What is the InChIKey of 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is UDHLMSVXSRXMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3S2/c14-10-2-1-3-11(15)12(10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h1-3H,4-9H2.
What are the key properties of 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 335.40 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 56764688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).