[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone

C17H17FN2O3S — CID 124807351

About [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone

[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 124807351) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

• Compound Name: [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
• PubChem CID: 124807351
• Molecular Formula: C17H17FN2O3S
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.09
• IUPAC Name: [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
• SMILES: Cc1occc1C(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1
• InChI: InChI=1S/C17H17FN2O3S/c1-11-13(4-6-22-11)16(21)20-9-17(10-20)7-12(8-24-17)23-15-14(18)3-2-5-19-15/h2-6,12H,7-10H2,1H3/t12-/m0/s1
• InChIKey: IGZQMQBRGJAOCR-LBPRGKRZSA-N
• XLogP: 2.90
• TPSA: 55.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?

The IUPAC name of [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone (CID 124807351) is [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone.

What is the SMILES notation for [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?

The canonical SMILES for [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1.

What is the InChIKey of [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?

The InChIKey is IGZQMQBRGJAOCR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-11-13(4-6-22-11)16(21)20-9-17(10-20)7-12(8-24-17)23-15-14(18)3-2-5-19-15/h2-6,12H,7-10H2,1H3/t12-/m0/s1.

What are the key properties of [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?

[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 124807351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).