8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane

C13H19FN4O3S — CID 118739111

IUPAC8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C13H19FN4O3S/c1-22(19,20)18-5-6-21-13(10-18)3-2-4-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3
InChIKeyLKWOBXALIVLZGZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.25
Rot. Bonds2

About 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane

8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118739111) has the molecular formula C13H19FN4O3S and a molecular weight of 330.39 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118739111
Molecular FormulaC13H19FN4O3S
Molecular Weight330.39 g/mol
Exact Mass330.12
IUPAC Name8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C13H19FN4O3S/c1-22(19,20)18-5-6-21-13(10-18)3-2-4-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3
InChIKeyLKWOBXALIVLZGZ-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118739111) is 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane is CS(=O)(=O)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is LKWOBXALIVLZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O3S/c1-22(19,20)18-5-6-21-13(10-18)3-2-4-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 330.39 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118739111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).