2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one

C20H32N2OS — CID 118662050

IUPAC2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
SMILESCCCCN1CC2(CCC(c3ccc(C)s3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C20H32N2OS/c1-5-6-13-22-15-19(14-18(22)23)9-11-20(12-10-19,21(3)4)17-8-7-16(2)24-17/h7-8H,5-6,9-15H2,1-4H3
InChIKeyMZZJHSXMHZBMAS-UHFFFAOYSA-N
MW348.56 g/mol
LogP4.41
Rot. Bonds5

About 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one

2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one (PubChem CID 118662050) has the molecular formula C20H32N2OS and a molecular weight of 348.56 g/mol. Its IUPAC name is 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
PubChem CID118662050
Molecular FormulaC20H32N2OS
Molecular Weight348.56 g/mol
Exact Mass348.22
IUPAC Name2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
SMILESCCCCN1CC2(CCC(c3ccc(C)s3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C20H32N2OS/c1-5-6-13-22-15-19(14-18(22)23)9-11-20(12-10-19,21(3)4)17-8-7-16(2)24-17/h7-8H,5-6,9-15H2,1-4H3
InChIKeyMZZJHSXMHZBMAS-UHFFFAOYSA-N
XLogP4.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(Dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662342
Rac-4-propyl-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 44414888
Rac-8-[1-(5-methyl-thiophen-2-yl)-cyclohexyl]-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414889
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
(3-Butyl-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl)-dimethylamine
CID 118662291
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
CID 155536757
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
1-Methyl-cyclohexanecarboxylic acid methyl-thiophen-2-ylmethyl-amide
CID 57576921
N-methyl-N-[(5-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 57576942
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375554
(5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471869

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one (CID 118662050) is 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one is CCCCN1CC2(CCC(c3ccc(C)s3)(N(C)C)CC2)CC1=O.
What is the InChIKey of 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is MZZJHSXMHZBMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2OS/c1-5-6-13-22-15-19(14-18(22)23)9-11-20(12-10-19,21(3)4)17-8-7-16(2)24-17/h7-8H,5-6,9-15H2,1-4H3.
What are the key properties of 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 348.56 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).