8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one

C21H33FN2O2S — CID 118662375

IUPAC8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
SMILESCOC(C)(C)CCN1CC2(CCC(c3ccc(F)s3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C21H33FN2O2S/c1-19(2,26-5)12-13-24-15-20(14-18(24)25)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3
InChIKeyYTOIXAXIIJDIAL-UHFFFAOYSA-N
MW396.57 g/mol
LogP4.25
Rot. Bonds6

About 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one (PubChem CID 118662375) has the molecular formula C21H33FN2O2S and a molecular weight of 396.57 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
PubChem CID118662375
Molecular FormulaC21H33FN2O2S
Molecular Weight396.57 g/mol
Exact Mass396.22
IUPAC Name8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
SMILESCOC(C)(C)CCN1CC2(CCC(c3ccc(F)s3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C21H33FN2O2S/c1-19(2,26-5)12-13-24-15-20(14-18(24)25)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3
InChIKeyYTOIXAXIIJDIAL-UHFFFAOYSA-N
XLogP4.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one 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
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
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
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-3-one
CID 118662004
[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-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118662335
[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 118662474

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one (CID 118662375) is 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one is COC(C)(C)CCN1CC2(CCC(c3ccc(F)s3)(N(C)C)CC2)CC1=O.
What is the InChIKey of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is YTOIXAXIIJDIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O2S/c1-19(2,26-5)12-13-24-15-20(14-18(24)25)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3.
What are the key properties of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 396.57 g/mol, XLogP of 4.25, 6 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-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).