1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one

C19H30N2OS — CID 118661979

IUPAC1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C19H30N2OS/c1-4-6-17(22)21-13-12-18(15-21)8-10-19(11-9-18,20(2)3)16-7-5-14-23-16/h5,7,14H,4,6,8-13,15H2,1-3H3
InChIKeyJIONZHVABMFVDG-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.10
Rot. Bonds4

About 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one

1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one (PubChem CID 118661979) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
PubChem CID118661979
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C19H30N2OS/c1-4-6-17(22)21-13-12-18(15-21)8-10-19(11-9-18,20(2)3)16-7-5-14-23-16/h5,7,14H,4,6,8-13,15H2,1-3H3
InChIKeyJIONZHVABMFVDG-UHFFFAOYSA-N
XLogP4.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-piperidin-4-ylethanone
CID 118666329
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone
CID 118662425
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone
CID 118666660
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662064
1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118666001
butyl 4-(dimethylamino)-4-thiophen-2-ylpiperidine-1-carboxylate
CID 172683680
1-[[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile
CID 118661928
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662468
8-(dimethylamino)-2-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662018
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
6-butanoyl-6-azaspiro[3.4]octan-2-one
CID 130352650
[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
CID 118666639

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one (CID 118661979) is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one.
What is the SMILES notation for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The canonical SMILES for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one is CCCC(=O)N1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1.
What is the InChIKey of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The InChIKey is JIONZHVABMFVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-4-6-17(22)21-13-12-18(15-21)8-10-19(11-9-18,20(2)3)16-7-5-14-23-16/h5,7,14H,4,6,8-13,15H2,1-3H3.
What are the key properties of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one?
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one has a molecular weight of 334.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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]butan-1-one is sourced from PubChem (CID 118661979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).