2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

C20H27FN2S2 — CID 118666465

IUPAC2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccs2)CCC2(CCN(Cc3ccc(F)s3)C2)CC1
InChIInChI=1S/C20H27FN2S2/c1-22(2)20(17-4-3-13-24-17)9-7-19(8-10-20)11-12-23(15-19)14-16-5-6-18(21)25-16/h3-6,13H,7-12,14-15H2,1-2H3
InChIKeySQOKLKOFBZMSKF-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.17
Rot. Bonds4

About 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118666465) has the molecular formula C20H27FN2S2 and a molecular weight of 378.58 g/mol. Its IUPAC name is 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
PubChem CID118666465
Molecular FormulaC20H27FN2S2
Molecular Weight378.58 g/mol
Exact Mass378.16
IUPAC Name2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccs2)CCC2(CCN(Cc3ccc(F)s3)C2)CC1
InChIInChI=1S/C20H27FN2S2/c1-22(2)20(17-4-3-13-24-17)9-7-19(8-10-20)11-12-23(15-19)14-16-5-6-18(21)25-16/h3-6,13H,7-12,14-15H2,1-2H3
InChIKeySQOKLKOFBZMSKF-UHFFFAOYSA-N
XLogP5.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.58
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine with MolForge

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Related Compounds

1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
CID 62764
[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
2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662057
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662163
[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(5-fluorothiophen-2-yl)methanone
CID 130237601
2-(2'-Thienyl)-2-(5-piperidinomethyl-2-thienyl)butane
CID 129802600
2-[(3-Fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine
CID 112841842
[1-[[5-(2-Fluorophenyl)thiophen-2-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780453
[1-[(4-Fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780622
[1-[[5-(3-Fluorophenyl)thiophen-2-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780862
[1-[[5-(4-Fluorophenyl)thiophen-2-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780905

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (CID 118666465) is 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is CN(C)C1(c2cccs2)CCC2(CCN(Cc3ccc(F)s3)C2)CC1.
What is the InChIKey of 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is SQOKLKOFBZMSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2S2/c1-22(2)20(17-4-3-13-24-17)9-7-19(8-10-20)11-12-23(15-19)14-16-5-6-18(21)25-16/h3-6,13H,7-12,14-15H2,1-2H3.
What are the key properties of 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 378.58 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118666465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).