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

C15H23FN4O2S — CID 118739088

IUPAC9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H23FN4O2S/c1-2-8-23(21,22)20-7-5-15(12-20)4-3-6-19(11-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3
InChIKeyKWOOXVLSGOXXJJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.65
Rot. Bonds4

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

9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 118739088) has the molecular formula C15H23FN4O2S and a molecular weight of 342.44 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID118739088
Molecular FormulaC15H23FN4O2S
Molecular Weight342.44 g/mol
Exact Mass342.15
IUPAC Name9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H23FN4O2S/c1-2-8-23(21,22)20-7-5-15(12-20)4-3-6-19(11-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3
InChIKeyKWOOXVLSGOXXJJ-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.65
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-propylsulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane (CID 118739088) is 9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane is CCCS(=O)(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is KWOOXVLSGOXXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2S/c1-2-8-23(21,22)20-7-5-15(12-20)4-3-6-19(11-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane?
9-(5-fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 342.44 g/mol, XLogP of 1.65, 4 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-propylsulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118739088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).