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

C21H32N2O2S — CID 118662064

IUPAC[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)C3CCOCC3)C2)CC1
InChIInChI=1S/C21H32N2O2S/c1-22(2)21(18-4-3-15-26-18)9-7-20(8-10-21)11-12-23(16-20)19(24)17-5-13-25-14-6-17/h3-4,15,17H,5-14,16H2,1-2H3
InChIKeyFDFZSDRUGZTOAN-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.72
Rot. Bonds3

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

[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone (PubChem CID 118662064) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
PubChem CID118662064
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC Name[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)C3CCOCC3)C2)CC1
InChIInChI=1S/C21H32N2O2S/c1-22(2)21(18-4-3-15-26-18)9-7-20(8-10-21)11-12-23(16-20)19(24)17-5-13-25-14-6-17/h3-4,15,17H,5-14,16H2,1-2H3
InChIKeyFDFZSDRUGZTOAN-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone?
The IUPAC name of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone (CID 118662064) is [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone is CN(C)C1(c2cccs2)CCC2(CCN(C(=O)C3CCOCC3)C2)CC1.
What is the InChIKey of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone?
The InChIKey is FDFZSDRUGZTOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-22(2)21(18-4-3-15-26-18)9-7-20(8-10-21)11-12-23(16-20)19(24)17-5-13-25-14-6-17/h3-4,15,17H,5-14,16H2,1-2H3.
What are the key properties of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone?
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone has a molecular weight of 376.57 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 118662064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).