[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone

C20H25FN2OS2 — CID 130237601

IUPAC[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)c3ccc(F)s3)C2)CC1
InChIInChI=1S/C20H25FN2OS2/c1-22(2)20(16-4-3-13-25-16)9-7-19(8-10-20)11-12-23(14-19)18(24)15-5-6-17(21)26-15/h3-6,13H,7-12,14H2,1-2H3
InChIKeyOFNRRACUQLZHOL-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.81
Rot. Bonds3

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

[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone (PubChem CID 130237601) has the molecular formula C20H25FN2OS2 and a molecular weight of 392.57 g/mol. Its IUPAC name is [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone
PubChem CID130237601
Molecular FormulaC20H25FN2OS2
Molecular Weight392.57 g/mol
Exact Mass392.14
IUPAC Name[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)c3ccc(F)s3)C2)CC1
InChIInChI=1S/C20H25FN2OS2/c1-22(2)20(16-4-3-13-25-16)9-7-19(8-10-20)11-12-23(14-19)18(24)15-5-6-17(21)26-15/h3-6,13H,7-12,14H2,1-2H3
InChIKeyOFNRRACUQLZHOL-UHFFFAOYSA-N
XLogP4.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone with MolForge

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Related Compounds

2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
(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-[5-(4-Fluorophenyl)thiophene-2-carbonyl]-2-methylpyrrolidine
CID 46082896
2-(4-Fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine
CID 50747041
(2-(3-Fluorophenyl)thiazolidin-3-yl)(4-methylthiophen-2-yl)methanone
CID 86264772
N-({1,3,3-Trimethyl-5-[(2-thienylcarbonyl)amino]cyclohexyl}methyl)-2-thiophenecarboxamide
CID 2932884
2-(3-Methylphenyl)pyrrolidinyl 2-thienyl ketone
CID 20895577
2-(4-Methylphenyl)pyrrolidinyl 2-thienyl ketone
CID 45924962
2-(2-Methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine
CID 50747416
N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184656

Frequently Asked Questions

What is the IUPAC name of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone?
The IUPAC name of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone (CID 130237601) is [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone.
What is the SMILES notation for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone?
The canonical SMILES for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone is CN(C)C1(c2cccs2)CCC2(CCN(C(=O)c3ccc(F)s3)C2)CC1.
What is the InChIKey of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone?
The InChIKey is OFNRRACUQLZHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS2/c1-22(2)20(16-4-3-13-25-16)9-7-19(8-10-20)11-12-23(14-19)18(24)15-5-6-17(21)26-15/h3-6,13H,7-12,14H2,1-2H3.
What are the key properties of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone?
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone has a molecular weight of 392.57 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone is sourced from PubChem (CID 130237601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).