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

C15H23FN4O3S — CID 118739085

IUPAC8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCCCS(=O)(=O)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H23FN4O3S/c1-2-8-24(21,22)20-6-7-23-15(12-20)4-3-5-19(11-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3
InChIKeyZPCVUCAATLORDL-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.03
Rot. Bonds4

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

8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118739085) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118739085
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCCCS(=O)(=O)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H23FN4O3S/c1-2-8-24(21,22)20-6-7-23-15(12-20)4-3-5-19(11-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3
InChIKeyZPCVUCAATLORDL-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118739085) is 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane is CCCS(=O)(=O)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is ZPCVUCAATLORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-2-8-24(21,22)20-6-7-23-15(12-20)4-3-5-19(11-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(5-fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 358.44 g/mol, XLogP of 1.03, 4 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-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118739085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).