8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one

C16H24N2OS — CID 118662018

IUPAC8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C16H24N2OS/c1-17(2)16(13-5-4-10-20-13)8-6-15(7-9-16)11-14(19)18(3)12-15/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyYRCFYFOMUBNBMG-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.93
Rot. Bonds2

About 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (PubChem CID 118662018) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
PubChem CID118662018
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C16H24N2OS/c1-17(2)16(13-5-4-10-20-13)8-6-15(7-9-16)11-14(19)18(3)12-15/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyYRCFYFOMUBNBMG-UHFFFAOYSA-N
XLogP2.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (CID 118662018) is 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is CN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O.
What is the InChIKey of 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The InChIKey is YRCFYFOMUBNBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17(2)16(13-5-4-10-20-13)8-6-15(7-9-16)11-14(19)18(3)12-15/h4-5,10H,6-9,11-12H2,1-3H3.
What are the key properties of 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one has a molecular weight of 292.45 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).