tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate

C20H27F3N2O5S — CID 170049610

IUPACtert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C20H27F3N2O5S/c1-18(2,3)30-17(26)25-10-8-19(9-11-25)12-14(13-19)24-31(27,28)16-6-4-15(5-7-16)29-20(21,22)23/h4-7,14,24H,8-13H2,1-3H3
InChIKeyCGNRLSVYQJPPFA-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.04
Rot. Bonds4

About tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 170049610) has the molecular formula C20H27F3N2O5S and a molecular weight of 464.51 g/mol. Its IUPAC name is tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID170049610
Molecular FormulaC20H27F3N2O5S
Molecular Weight464.51 g/mol
Exact Mass464.16
IUPAC Nametert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C20H27F3N2O5S/c1-18(2,3)30-17(26)25-10-8-19(9-11-25)12-14(13-19)24-31(27,28)16-6-4-15(5-7-16)29-20(21,22)23/h4-7,14,24H,8-13H2,1-3H3
InChIKeyCGNRLSVYQJPPFA-UHFFFAOYSA-N
XLogP4.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(4-methoxycarbonylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256088
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
tert-butyl (3R,4R,5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 135315685
tert-butyl 3-(3,4-dichlorophenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylcarbamoyl]pyrrolidine-1-carboxylate
CID 170432755
tert-butyl 3-(3,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrrolidine-1-carboxylate
CID 164862583
tert-butyl (3S,4R,5R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126693842
tert-butyl (3R,4R,5R)-3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 135316019
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
tert-butyl 4-hydroxy-4-[4-(methylsulfamoyl)phenyl]piperidine-1-carboxylate
CID 59465781
4-O-tert-butyl 1-O-[[4-(trifluoromethoxy)phenyl]methyl] piperazine-1,4-dicarboxylate
CID 69141711

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate (CID 170049610) is tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is CGNRLSVYQJPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O5S/c1-18(2,3)30-17(26)25-10-8-19(9-11-25)12-14(13-19)24-31(27,28)16-6-4-15(5-7-16)29-20(21,22)23/h4-7,14,24H,8-13H2,1-3H3.
What are the key properties of tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 464.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 170049610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).