N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

C19H25F3N2O4S — CID 118744375

IUPACN-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC2(CO1)CN(Cc1cccs1)C2)C1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N2O2S.C2HF3O2/c20-16(13-3-1-4-13)18-8-14-7-17(12-21-14)10-19(11-17)9-15-5-2-6-22-15;3-2(4,5)1(6)7/h2,5-6,13-14H,1,3-4,7-12H2,(H,18,20);(H,6,7)
InChIKeyWEULEDSNUJELNW-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.89
Rot. Bonds5

About N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744375) has the molecular formula C19H25F3N2O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744375
Molecular FormulaC19H25F3N2O4S
Molecular Weight434.48 g/mol
Exact Mass434.15
IUPAC NameN-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC2(CO1)CN(Cc1cccs1)C2)C1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N2O2S.C2HF3O2/c20-16(13-3-1-4-13)18-8-14-7-17(12-21-14)10-19(11-17)9-15-5-2-6-22-15;3-2(4,5)1(6)7/h2,5-6,13-14H,1,3-4,7-12H2,(H,18,20);(H,6,7)
InChIKeyWEULEDSNUJELNW-UHFFFAOYSA-N
XLogP2.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155848993
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
(3aR,6aS)-5-(2,5-dimethylthiophen-3-yl)-3a,6a-difluoro-2-(thiophen-2-ylmethyl)-3,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
CID 155853448
3-(pyrrolidin-1-ylmethyl)-7-(thiophen-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155839283
10-cyclopropylsulfonyl-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;2,2,2-trifluoroacetic acid
CID 155834780
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
1-methyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155852550
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119865370
N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131651871
N-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
CID 155832191
1-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710730
(3aR,8aR)-2-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 155825804

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (CID 118744375) is N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CC2(CO1)CN(Cc1cccs1)C2)C1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WEULEDSNUJELNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S.C2HF3O2/c20-16(13-3-1-4-13)18-8-14-7-17(12-21-14)10-19(11-17)9-15-5-2-6-22-15;3-2(4,5)1(6)7/h2,5-6,13-14H,1,3-4,7-12H2,(H,18,20);(H,6,7).
What are the key properties of N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 434.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).