[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone

C22H33FN2O2S — CID 118662474

IUPAC[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC3(CCC(c4ccc(F)s4)(N(C)C)CC3)C2)CCC1
InChIInChI=1S/C22H33FN2O2S/c1-24(2)22(17-5-6-18(23)28-17)11-9-20(10-12-22)13-14-25(15-20)19(26)21(16-27-3)7-4-8-21/h5-6H,4,7-16H2,1-3H3
InChIKeySPQLBBKZLKAZLR-UHFFFAOYSA-N
MW408.58 g/mol
LogP4.25
Rot. Bonds5

About [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone

[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 118662474) has the molecular formula C22H33FN2O2S and a molecular weight of 408.58 g/mol. Its IUPAC name is [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID118662474
Molecular FormulaC22H33FN2O2S
Molecular Weight408.58 g/mol
Exact Mass408.22
IUPAC Name[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC3(CCC(c4ccc(F)s4)(N(C)C)CC3)C2)CCC1
InChIInChI=1S/C22H33FN2O2S/c1-24(2)22(17-5-6-18(23)28-17)11-9-20(10-12-22)13-14-25(15-20)19(26)21(16-27-3)7-4-8-21/h5-6H,4,7-16H2,1-3H3
InChIKeySPQLBBKZLKAZLR-UHFFFAOYSA-N
XLogP4.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone 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

8-(Dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662342
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118661931
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one
CID 118661993
[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclopropyl]methanone
CID 118662049
1-[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118662107
1-[8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-azaspiro[4.5]decan-3-yl]-3-methoxy-3-methylbutan-1-one
CID 118662289
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
CID 118662375
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid
CID 141473046
Butyl 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decane-2-carboxylate
CID 152348299
[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(1-methoxycyclobutyl)methanone
CID 118661917
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-3-azaspiro[4.5]decan-3-yl)-butan-1-one
CID 118661979

Frequently Asked Questions

What is the IUPAC name of [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 118662474) is [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCC3(CCC(c4ccc(F)s4)(N(C)C)CC3)C2)CCC1.
What is the InChIKey of [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is SPQLBBKZLKAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O2S/c1-24(2)22(17-5-6-18(23)28-17)11-9-20(10-12-22)13-14-25(15-20)19(26)21(16-27-3)7-4-8-21/h5-6H,4,7-16H2,1-3H3.
What are the key properties of [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 408.58 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 118662474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).