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

C19H30N2OS — CID 118662183

IUPAC2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1=O
InChIInChI=1S/C19H30N2OS/c1-4-5-13-21-14-12-18(17(21)22)8-10-19(11-9-18,20(2)3)16-7-6-15-23-16/h6-7,15H,4-5,8-14H2,1-3H3
InChIKeyPLYOHNHGRVMVDF-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.10
Rot. Bonds5

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

2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one (PubChem CID 118662183) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
PubChem CID118662183
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1=O
InChIInChI=1S/C19H30N2OS/c1-4-5-13-21-14-12-18(17(21)22)8-10-19(11-9-18,20(2)3)16-7-6-15-23-16/h6-7,15H,4-5,8-14H2,1-3H3
InChIKeyPLYOHNHGRVMVDF-UHFFFAOYSA-N
XLogP4.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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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
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
(4-Tert-butylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16312479
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
1-Benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372695
(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-thiophen-2-yl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one (CID 118662183) is 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one is CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1=O.
What is the InChIKey of 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one?
The InChIKey is PLYOHNHGRVMVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-4-5-13-21-14-12-18(17(21)22)8-10-19(11-9-18,20(2)3)16-7-6-15-23-16/h6-7,15H,4-5,8-14H2,1-3H3.
What are the key properties of 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one?
2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one has a molecular weight of 334.53 g/mol, XLogP of 4.10, 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-thiophen-2-yl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118662183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).