3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone

C18H25N3O2S — CID 129475730

About 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone

3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone (PubChem CID 129475730) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
• PubChem CID: 129475730
• Molecular Formula: C18H25N3O2S
• Molecular Weight: 347.48 g/mol
• Exact Mass: 347.17
• IUPAC Name: 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
• SMILES: CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1=COCCC1)CC2
• InChI: InChI=1S/C18H25N3O2S/c1-20(12-16-19-6-10-24-16)15-11-18(15)4-7-21(8-5-18)17(22)14-3-2-9-23-13-14/h6,10,13,15H,2-5,7-9,11-12H2,1H3/t15-/m1/s1
• InChIKey: LWSXXJSTNDHSAU-OAHLLOKOSA-N
• XLogP: 2.65
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.48
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?

The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone (CID 129475730) is 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone.

What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?

The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone is CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1=COCCC1)CC2.

What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?

The InChIKey is LWSXXJSTNDHSAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-20(12-16-19-6-10-24-16)15-11-18(15)4-7-21(8-5-18)17(22)14-3-2-9-23-13-14/h6,10,13,15H,2-5,7-9,11-12H2,1H3/t15-/m1/s1.

What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?

3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone has a molecular weight of 347.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone is sourced from PubChem (CID 129475730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).