8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane

C15H21FN2O3S — CID 134077368

IUPAC8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1
InChIInChI=1S/C15H21FN2O3S/c1-17-9-10-21-15(11-17)7-4-8-18(12-15)22(19,20)14-6-3-2-5-13(14)16/h2-3,5-6H,4,7-12H2,1H3
InChIKeyORUIQUOWUGSBMV-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.31
Rot. Bonds2

About 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane

8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 134077368) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID134077368
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1
InChIInChI=1S/C15H21FN2O3S/c1-17-9-10-21-15(11-17)7-4-8-18(12-15)22(19,20)14-6-3-2-5-13(14)16/h2-3,5-6H,4,7-12H2,1H3
InChIKeyORUIQUOWUGSBMV-UHFFFAOYSA-N
XLogP1.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 134077368) is 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane is CN1CCOC2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1.
What is the InChIKey of 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is ORUIQUOWUGSBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-17-9-10-21-15(11-17)7-4-8-18(12-15)22(19,20)14-6-3-2-5-13(14)16/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 328.41 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 134077368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).