1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one

C21H33FN2O2S — CID 118662289

About 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one

1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one (PubChem CID 118662289) has the molecular formula C21H33FN2O2S and a molecular weight of 396.57 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one.

Molecular Properties

• Compound Name: 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
• PubChem CID: 118662289
• Molecular Formula: C21H33FN2O2S
• Molecular Weight: 396.57 g/mol
• Exact Mass: 396.22
• IUPAC Name: 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
• SMILES: COC(C)(C)CC(=O)N1CCC2(CCC(c3ccc(F)s3)(N(C)C)CC2)C1
• InChI: InChI=1S/C21H33FN2O2S/c1-19(2,26-5)14-18(25)24-13-12-20(15-24)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3
• InChIKey: MXLNBSUCVUZAFM-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.57
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one?

The IUPAC name of 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one (CID 118662289) is 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one.

What is the SMILES notation for 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one?

The canonical SMILES for 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one is COC(C)(C)CC(=O)N1CCC2(CCC(c3ccc(F)s3)(N(C)C)CC2)C1.

What is the InChIKey of 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one?

The InChIKey is MXLNBSUCVUZAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O2S/c1-19(2,26-5)14-18(25)24-13-12-20(15-24)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3.

What are the key properties of 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one?

1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one has a molecular weight of 396.57 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 118662289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).