1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone

C22H34N2O2S — CID 118662425

IUPAC1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)CC3CCOCC3)C2)CC1
InChIInChI=1S/C22H34N2O2S/c1-23(2)22(19-4-3-15-27-19)9-7-21(8-10-22)11-12-24(17-21)20(25)16-18-5-13-26-14-6-18/h3-4,15,18H,5-14,16-17H2,1-2H3
InChIKeyZTDCLYLCOMZZHK-UHFFFAOYSA-N
MW390.59 g/mol
LogP4.11
Rot. Bonds4

About 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone

1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone (PubChem CID 118662425) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone
PubChem CID118662425
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)CC3CCOCC3)C2)CC1
InChIInChI=1S/C22H34N2O2S/c1-23(2)22(19-4-3-15-27-19)9-7-21(8-10-22)11-12-24(17-21)20(25)16-18-5-13-26-14-6-18/h3-4,15,18H,5-14,16-17H2,1-2H3
InChIKeyZTDCLYLCOMZZHK-UHFFFAOYSA-N
XLogP4.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone (CID 118662425) is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone is CN(C)C1(c2cccs2)CCC2(CCN(C(=O)CC3CCOCC3)C2)CC1.
What is the InChIKey of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is ZTDCLYLCOMZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S/c1-23(2)22(19-4-3-15-27-19)9-7-21(8-10-22)11-12-24(17-21)20(25)16-18-5-13-26-14-6-18/h3-4,15,18H,5-14,16-17H2,1-2H3.
What are the key properties of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone?
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 390.59 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 118662425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).