2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid

C17H24F3N3O5S2 — CID 155854886

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
SMILESCCCS(=O)(=O)N1CCC2(CC(=O)N(Cc3csc(C)n3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O3S2.C2HF3O2/c1-3-6-23(20,21)18-5-4-15(11-18)7-14(19)17(10-15)8-13-9-22-12(2)16-13;3-2(4,5)1(6)7/h9H,3-8,10-11H2,1-2H3;(H,6,7)
InChIKeyKWRAPDVPZHIZDX-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.25
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 155854886) has the molecular formula C17H24F3N3O5S2 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
PubChem CID155854886
Molecular FormulaC17H24F3N3O5S2
Molecular Weight471.52 g/mol
Exact Mass471.11
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
SMILESCCCS(=O)(=O)N1CCC2(CC(=O)N(Cc3csc(C)n3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O3S2.C2HF3O2/c1-3-6-23(20,21)18-5-4-15(11-18)7-14(19)17(10-15)8-13-9-22-12(2)16-13;3-2(4,5)1(6)7/h9H,3-8,10-11H2,1-2H3;(H,6,7)
InChIKeyKWRAPDVPZHIZDX-UHFFFAOYSA-N
XLogP2.25
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

7-(3-Hydroxypropanoyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155828793
N,N-dimethyl-2-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155832911
2,7-Bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155847202
1-[1'-Methylsulfonyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2,3a,5,6,7,7a-hexahydropyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155848934
9-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155854358
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155854611
2-Methyl-4-[(2-propylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155854636
N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155854760
8-Methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155854844
N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155854870
8-Ethylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155855062
9-Methylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855196

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid (CID 155854886) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid is CCCS(=O)(=O)N1CCC2(CC(=O)N(Cc3csc(C)n3)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is KWRAPDVPZHIZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2.C2HF3O2/c1-3-6-23(20,21)18-5-4-15(11-18)7-14(19)17(10-15)8-13-9-22-12(2)16-13;3-2(4,5)1(6)7/h9H,3-8,10-11H2,1-2H3;(H,6,7).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 471.52 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155854886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).