[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone

C16H22N2O3S2 — CID 124796712

About [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone

[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 124796712) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
• PubChem CID: 124796712
• Molecular Formula: C16H22N2O3S2
• Molecular Weight: 354.50 g/mol
• Exact Mass: 354.11
• IUPAC Name: [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
• SMILES: O=C(c1cscn1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1
• InChI: InChI=1S/C16H22N2O3S2/c19-15(14-8-22-11-17-14)18-9-16(10-18)5-13(7-23-16)21-6-12-1-3-20-4-2-12/h8,11-13H,1-7,9-10H2/t13-/m0/s1
• InChIKey: YSJHDTNGZNDANW-ZDUSSCGKSA-N
• XLogP: 2.29
• TPSA: 51.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.50
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?

The IUPAC name of [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 124796712) is [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?

The canonical SMILES for [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1.

What is the InChIKey of [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?

The InChIKey is YSJHDTNGZNDANW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c19-15(14-8-22-11-17-14)18-9-16(10-18)5-13(7-23-16)21-6-12-1-3-20-4-2-12/h8,11-13H,1-7,9-10H2/t13-/m0/s1.

What are the key properties of [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?

[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 354.50 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124796712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).