1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol

C22H38N2OS — CID 118662048

IUPAC1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol
SMILESCCC(O)(CC)CCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C22H38N2OS/c1-5-21(25,6-2)14-16-24-15-13-20(18-24)9-11-22(12-10-20,23(3)4)19-8-7-17-26-19/h7-8,17,25H,5-6,9-16,18H2,1-4H3
InChIKeyHSLKCCZNDBXTQN-UHFFFAOYSA-N
MW378.63 g/mol
LogP4.71
Rot. Bonds7

About 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol

1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol (PubChem CID 118662048) has the molecular formula C22H38N2OS and a molecular weight of 378.63 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol
PubChem CID118662048
Molecular FormulaC22H38N2OS
Molecular Weight378.63 g/mol
Exact Mass378.27
IUPAC Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol
SMILESCCC(O)(CC)CCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C22H38N2OS/c1-5-21(25,6-2)14-16-24-15-13-20(18-24)9-11-22(12-10-20,23(3)4)19-8-7-17-26-19/h7-8,17,25H,5-6,9-16,18H2,1-4H3
InChIKeyHSLKCCZNDBXTQN-UHFFFAOYSA-N
XLogP4.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.63
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol with MolForge

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Related Compounds

[3-(Cyclopentylmethyl)-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl]-dimethylamine
CID 118662074
(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
2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662057
1-[8-(Dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one
CID 118661925
1-[[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile
CID 118661928
1-(8-Dimethylamino-8-thiophen-2-yl-3-azaspiro[4.5]decan-3-yl)-butan-1-one
CID 118661979
1-[[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclobutane-1-carbonitrile
CID 118661985
8-(Dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118661990
1-[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one
CID 118661992
1-[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol
CID 118661996

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol?
The IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol (CID 118662048) is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol.
What is the SMILES notation for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol?
The canonical SMILES for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol is CCC(O)(CC)CCN1CCC2(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]-3-ethylpentan-3-ol?
The InChIKey is HSLKCCZNDBXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2OS/c1-5-21(25,6-2)14-16-24-15-13-20(18-24)9-11-22(12-10-20,23(3)4)19-8-7-17-26-19/h7-8,17,25H,5-6,9-16,18H2,1-4H3.
What are the key properties of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol?
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-3-ethylpentan-3-ol has a molecular weight of 378.63 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-ethylpentan-3-ol is sourced from PubChem (CID 118662048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).