1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one

C20H32N2OS — CID 118661925

IUPAC1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one
SMILESCc1ccc(C2(N(C)C)CCC3(CCN(C(=O)C(C)C)C3)CC2)s1
InChIInChI=1S/C20H32N2OS/c1-15(2)18(23)22-13-12-19(14-22)8-10-20(11-9-19,21(4)5)17-7-6-16(3)24-17/h6-7,15H,8-14H2,1-5H3
InChIKeyGDGXNSDCCRZNLE-UHFFFAOYSA-N
MW348.56 g/mol
LogP4.26
Rot. Bonds3

About 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one

1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one (PubChem CID 118661925) has the molecular formula C20H32N2OS and a molecular weight of 348.56 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one
PubChem CID118661925
Molecular FormulaC20H32N2OS
Molecular Weight348.56 g/mol
Exact Mass348.22
IUPAC Name1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one
SMILESCc1ccc(C2(N(C)C)CCC3(CCN(C(=O)C(C)C)C3)CC2)s1
InChIInChI=1S/C20H32N2OS/c1-15(2)18(23)22-13-12-19(14-22)8-10-20(11-9-19,21(4)5)17-7-6-16(3)24-17/h6-7,15H,8-14H2,1-5H3
InChIKeyGDGXNSDCCRZNLE-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Cyclopentylmethyl)-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl]-dimethylamine
CID 118662074
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
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-[2-(4-Methylphenyl)pyrrolidin-1-YL]-2-(thiophen-3-YL)ethan-1-one
CID 50747300
3-methyl-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butan-1-one
CID 26821258
N-Cyclohexyl-N-{[4-(4-methylphenyl)-1-[(3-methylthiophen-2-YL)methyl]pyrrolidin-3-YL]methyl}acetamide
CID 46071896
1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one
CID 70832769

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one (CID 118661925) is 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one is Cc1ccc(C2(N(C)C)CCC3(CCN(C(=O)C(C)C)C3)CC2)s1.
What is the InChIKey of 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one?
The InChIKey is GDGXNSDCCRZNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2OS/c1-15(2)18(23)22-13-12-19(14-22)8-10-20(11-9-19,21(4)5)17-7-6-16(3)24-17/h6-7,15H,8-14H2,1-5H3.
What are the key properties of 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one?
1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one has a molecular weight of 348.56 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 118661925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).