7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

C17H24FN3O2S — CID 168907279

IUPAC7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESCc1cc(F)cnc1N1CCC(N2CCC3(C2)CS(=O)(=O)C3)CC1
InChIInChI=1S/C17H24FN3O2S/c1-13-8-14(18)9-19-16(13)20-5-2-15(3-6-20)21-7-4-17(10-21)11-24(22,23)12-17/h8-9,15H,2-7,10-12H2,1H3
InChIKeyJICFRUXGUPMJEP-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.62
Rot. Bonds2

About 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (PubChem CID 168907279) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.

Molecular Properties

Compound Name7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
PubChem CID168907279
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC Name7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESCc1cc(F)cnc1N1CCC(N2CCC3(C2)CS(=O)(=O)C3)CC1
InChIInChI=1S/C17H24FN3O2S/c1-13-8-14(18)9-19-16(13)20-5-2-15(3-6-20)21-7-4-17(10-21)11-24(22,23)12-17/h8-9,15H,2-7,10-12H2,1H3
InChIKeyJICFRUXGUPMJEP-UHFFFAOYSA-N
XLogP1.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide 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-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The IUPAC name of 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (CID 168907279) is 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.
What is the SMILES notation for 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The canonical SMILES for 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is Cc1cc(F)cnc1N1CCC(N2CCC3(C2)CS(=O)(=O)C3)CC1.
What is the InChIKey of 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The InChIKey is JICFRUXGUPMJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c1-13-8-14(18)9-19-16(13)20-5-2-15(3-6-20)21-7-4-17(10-21)11-24(22,23)12-17/h8-9,15H,2-7,10-12H2,1H3.
What are the key properties of 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide has a molecular weight of 353.46 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(5-fluoro-3-methyl-2-pyridinyl)piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is sourced from PubChem (CID 168907279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).