N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid

C20H27F3N2O5S — CID 155825508

IUPACN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccccc1
InChIInChI=1S/C18H26N2O3S.C2HF3O2/c21-24(22,17-7-2-1-3-8-17)19-15-9-12-23-18(13-15)10-11-20(14-18)16-5-4-6-16;3-2(4,5)1(6)7/h1-3,7-8,15-16,19H,4-6,9-14H2;(H,6,7)/t15-,18-;/m1./s1
InChIKeyLEOMJEDQJNJOEM-KQKCUOLZSA-N
MW464.51 g/mol
LogP2.77
Rot. Bonds4

About N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid

N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155825508) has the molecular formula C20H27F3N2O5S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155825508
Molecular FormulaC20H27F3N2O5S
Molecular Weight464.51 g/mol
Exact Mass464.16
IUPAC NameN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccccc1
InChIInChI=1S/C18H26N2O3S.C2HF3O2/c21-24(22,17-7-2-1-3-8-17)19-15-9-12-23-18(13-15)10-11-20(14-18)16-5-4-6-16;3-2(4,5)1(6)7/h1-3,7-8,15-16,19H,4-6,9-14H2;(H,6,7)/t15-,18-;/m1./s1
InChIKeyLEOMJEDQJNJOEM-KQKCUOLZSA-N
XLogP2.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;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-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid (CID 155825508) is N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccccc1.
What is the InChIKey of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is LEOMJEDQJNJOEM-KQKCUOLZSA-N. The full InChI is InChI=1S/C18H26N2O3S.C2HF3O2/c21-24(22,17-7-2-1-3-8-17)19-15-9-12-23-18(13-15)10-11-20(14-18)16-5-4-6-16;3-2(4,5)1(6)7/h1-3,7-8,15-16,19H,4-6,9-14H2;(H,6,7)/t15-,18-;/m1./s1.
What are the key properties of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 464.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).