2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid

C21H28F3N3O4S — CID 118745341

IUPAC2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
SMILESCN1CC(=O)N(c2ccsc2)CC12CCN(C(=O)CC1CCCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O2S.C2HF3O2/c1-20-11-18(24)22(16-6-9-25-12-16)14-19(20)7-8-21(13-19)17(23)10-15-4-2-3-5-15;3-2(4,5)1(6)7/h6,9,12,15H,2-5,7-8,10-11,13-14H2,1H3;(H,6,7)
InChIKeyWUONYXYIQWRBPV-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.21
Rot. Bonds3

About 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid

2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid (PubChem CID 118745341) has the molecular formula C21H28F3N3O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
PubChem CID118745341
Molecular FormulaC21H28F3N3O4S
Molecular Weight475.53 g/mol
Exact Mass475.18
IUPAC Name2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
SMILESCN1CC(=O)N(c2ccsc2)CC12CCN(C(=O)CC1CCCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O2S.C2HF3O2/c1-20-11-18(24)22(16-6-9-25-12-16)14-19(20)7-8-21(13-19)17(23)10-15-4-2-3-5-15;3-2(4,5)1(6)7/h6,9,12,15H,2-5,7-8,10-11,13-14H2,1H3;(H,6,7)
InChIKeyWUONYXYIQWRBPV-UHFFFAOYSA-N
XLogP3.21
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid 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

6-methyl-2-(pyrrolidine-1-carbonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745326
6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745525
6-methyl-2-(thiophene-2-carbonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155843942
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
6-methyl-2-methylsulfonyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118744259
6-methyl-2-(3-phenylpropanoyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131652304
2-(2-fluorophenyl)sulfonyl-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155841712
6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745523
6-methyl-2-(pyridin-2-ylmethyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 171685957
6-methyl-2-[(6-methyl-2-pyridinyl)methyl]-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 155841748
6-methyl-2-(pyridin-3-ylmethyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 171695241
N-(2-fluorophenyl)-6-methyl-8-oxo-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131650297

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid (CID 118745341) is 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid is CN1CC(=O)N(c2ccsc2)CC12CCN(C(=O)CC1CCCC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?
The InChIKey is WUONYXYIQWRBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S.C2HF3O2/c1-20-11-18(24)22(16-6-9-25-12-16)14-19(20)7-8-21(13-19)17(23)10-15-4-2-3-5-15;3-2(4,5)1(6)7/h6,9,12,15H,2-5,7-8,10-11,13-14H2,1H3;(H,6,7).
What are the key properties of 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid?
2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid has a molecular weight of 475.53 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).