7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane

C12H17FN4O2S — CID 97399248

IUPAC7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C12H17FN4O2S/c1-20(18,19)17-7-4-12(17)2-5-16(6-3-12)11-14-8-10(13)9-15-11/h8-9H,2-7H2,1H3
InChIKeyFRAYELMWUJFGBG-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.62
Rot. Bonds2

About 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane

7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane (PubChem CID 97399248) has the molecular formula C12H17FN4O2S and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane
PubChem CID97399248
Molecular FormulaC12H17FN4O2S
Molecular Weight300.36 g/mol
Exact Mass300.11
IUPAC Name7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C12H17FN4O2S/c1-20(18,19)17-7-4-12(17)2-5-16(6-3-12)11-14-8-10(13)9-15-11/h8-9H,2-7H2,1H3
InChIKeyFRAYELMWUJFGBG-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane 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 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane (CID 97399248) is 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane?
The InChIKey is FRAYELMWUJFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2S/c1-20(18,19)17-7-4-12(17)2-5-16(6-3-12)11-14-8-10(13)9-15-11/h8-9H,2-7H2,1H3.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane?
7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane has a molecular weight of 300.36 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 97399248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).