N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

C17H24F3N3O5S2 — CID 155848171

IUPACN-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCC1CCC2(CN(Cc3nccs3)C2)OC1)C1CC1
InChIInChI=1S/C15H23N3O3S2.C2HF3O2/c19-23(20,13-1-2-13)17-7-12-3-4-15(21-9-12)10-18(11-15)8-14-16-5-6-22-14;3-2(4,5)1(6)7/h5-6,12-13,17H,1-4,7-11H2;(H,6,7)
InChIKeyXUPTWVMYNMSMOK-UHFFFAOYSA-N
MW471.52 g/mol
LogP1.84
Rot. Bonds6

About N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155848171) has the molecular formula C17H24F3N3O5S2 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155848171
Molecular FormulaC17H24F3N3O5S2
Molecular Weight471.52 g/mol
Exact Mass471.11
IUPAC NameN-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCC1CCC2(CN(Cc3nccs3)C2)OC1)C1CC1
InChIInChI=1S/C15H23N3O3S2.C2HF3O2/c19-23(20,13-1-2-13)17-7-12-3-4-15(21-9-12)10-18(11-15)8-14-16-5-6-22-14;3-2(4,5)1(6)7/h5-6,12-13,17H,1-4,7-11H2;(H,6,7)
InChIKeyXUPTWVMYNMSMOK-UHFFFAOYSA-N
XLogP1.84
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 155848171) is N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(NCC1CCC2(CN(Cc3nccs3)C2)OC1)C1CC1.
What is the InChIKey of N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is XUPTWVMYNMSMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2.C2HF3O2/c19-23(20,13-1-2-13)17-7-12-3-4-15(21-9-12)10-18(11-15)8-14-16-5-6-22-14;3-2(4,5)1(6)7/h5-6,12-13,17H,1-4,7-11H2;(H,6,7).
What are the key properties of N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 471.52 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155848171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).