6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane

C11H12FNO3S — CID 59326530

IUPAC6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane
SMILESO=S(=O)(c1ccc(F)cc1)N1CC2(COC2)C1
InChIInChI=1S/C11H12FNO3S/c12-9-1-3-10(4-2-9)17(14,15)13-5-11(6-13)7-16-8-11/h1-4H,5-8H2
InChIKeySZODLTIQYXCTNC-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.85
Rot. Bonds2

About 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane

6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 59326530) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID59326530
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane
SMILESO=S(=O)(c1ccc(F)cc1)N1CC2(COC2)C1
InChIInChI=1S/C11H12FNO3S/c12-9-1-3-10(4-2-9)17(14,15)13-5-11(6-13)7-16-8-11/h1-4H,5-8H2
InChIKeySZODLTIQYXCTNC-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-[(4-fluorophenyl)sulfonyl]-3-azetanecarboxylate
CID 3723592
6-Tosyl-2-oxa-6-azaspiro[3.3]heptane
CID 23319891
1-(4-Fluorophenyl)sulfonyl-3-methylazetidine
CID 59158129
Azetidine, 1-[(4-fluorophenyl)sulfonyl]-
CID 59346928
1-[(3,4-Difluorophenyl)sulfonyl]azetidine
CID 66681891
2-(4-Fluoro-benzenesulfonyl)-2-aza-spiro[3.3]heptane
CID 67304750
1-(3-Fluorophenyl)sulfonylazetidine
CID 90881036
1-(Benzenesulfonyl)-3-fluoroazetidine
CID 141433694
2-(2-Fluorophenyl)sulfonyl-2-azaspiro[3.3]heptane
CID 170160133
3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 3742601
2,4-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 60592697
2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 60592719

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane (CID 59326530) is 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane is O=S(=O)(c1ccc(F)cc1)N1CC2(COC2)C1.
What is the InChIKey of 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is SZODLTIQYXCTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c12-9-1-3-10(4-2-9)17(14,15)13-5-11(6-13)7-16-8-11/h1-4H,5-8H2.
What are the key properties of 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane?
6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 257.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 59326530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).