9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane

C13H19FN4O2S — CID 118739083

IUPAC9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C13H19FN4O2S/c1-21(19,20)18-6-4-13(10-18)3-2-5-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3
InChIKeyJCWJSJQQQIJSGP-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.87
Rot. Bonds2

About 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane

9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 118739083) has the molecular formula C13H19FN4O2S and a molecular weight of 314.39 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID118739083
Molecular FormulaC13H19FN4O2S
Molecular Weight314.39 g/mol
Exact Mass314.12
IUPAC Name9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C13H19FN4O2S/c1-21(19,20)18-6-4-13(10-18)3-2-5-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3
InChIKeyJCWJSJQQQIJSGP-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane (CID 118739083) is 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is JCWJSJQQQIJSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2S/c1-21(19,20)18-6-4-13(10-18)3-2-5-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane?
9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 314.39 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118739083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).