N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C19H26F4N2O6S — CID 155827057

IUPACN-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN2O4S.C2HF3O2/c1-25(21,22)19-10-16-6-7-17(24-16)12-20(8-9-23-13-17)11-14-2-4-15(18)5-3-14;3-2(4,5)1(6)7/h2-5,16,19H,6-13H2,1H3;(H,6,7)/t16-,17-;/m1./s1
InChIKeyZLDGGLWGYVTSPQ-GBNZRNLASA-N
MW486.48 g/mol
LogP1.76
Rot. Bonds5

About N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155827057) has the molecular formula C19H26F4N2O6S and a molecular weight of 486.48 g/mol. Its IUPAC name is N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155827057
Molecular FormulaC19H26F4N2O6S
Molecular Weight486.48 g/mol
Exact Mass486.14
IUPAC NameN-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN2O4S.C2HF3O2/c1-25(21,22)19-10-16-6-7-17(24-16)12-20(8-9-23-13-17)11-14-2-4-15(18)5-3-14;3-2(4,5)1(6)7/h2-5,16,19H,6-13H2,1H3;(H,6,7)/t16-,17-;/m1./s1
InChIKeyZLDGGLWGYVTSPQ-GBNZRNLASA-N
XLogP1.76
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155827057) is N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZLDGGLWGYVTSPQ-GBNZRNLASA-N. The full InChI is InChI=1S/C17H25FN2O4S.C2HF3O2/c1-25(21,22)19-10-16-6-7-17(24-16)12-20(8-9-23-13-17)11-14-2-4-15(18)5-3-14;3-2(4,5)1(6)7/h2-5,16,19H,6-13H2,1H3;(H,6,7)/t16-,17-;/m1./s1.
What are the key properties of N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 486.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).