N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C21H25F3N2O5S — CID 155831938

IUPACN-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4ccccc34)C[C@H]12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O3S.C2HF3O2/c1-25(22,23)20-9-16-13-24-19-12-21(11-18(16)19)10-15-7-4-6-14-5-2-3-8-17(14)15;3-2(4,5)1(6)7/h2-8,16,18-20H,9-13H2,1H3;(H,6,7)/t16-,18-,19-;/m1./s1
InChIKeyJGLRBROPQZHDKQ-WGZAKFJGSA-N
MW474.50 g/mol
LogP2.47
Rot. Bonds5

About N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155831938) has the molecular formula C21H25F3N2O5S and a molecular weight of 474.50 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155831938
Molecular FormulaC21H25F3N2O5S
Molecular Weight474.50 g/mol
Exact Mass474.14
IUPAC NameN-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4ccccc34)C[C@H]12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O3S.C2HF3O2/c1-25(22,23)20-9-16-13-24-19-12-21(11-18(16)19)10-15-7-4-6-14-5-2-3-8-17(14)15;3-2(4,5)1(6)7/h2-8,16,18-20H,9-13H2,1H3;(H,6,7)/t16-,18-,19-;/m1./s1
InChIKeyJGLRBROPQZHDKQ-WGZAKFJGSA-N
XLogP2.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155831938) is N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4ccccc34)C[C@H]12.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is JGLRBROPQZHDKQ-WGZAKFJGSA-N. The full InChI is InChI=1S/C19H24N2O3S.C2HF3O2/c1-25(22,23)20-9-16-13-24-19-12-21(11-18(16)19)10-15-7-4-6-14-5-2-3-8-17(14)15;3-2(4,5)1(6)7/h2-8,16,18-20H,9-13H2,1H3;(H,6,7)/t16-,18-,19-;/m1./s1.
What are the key properties of N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 474.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,6aS)-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).