tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate

C19H32F3N3O6S — CID 163275338

IUPACtert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)N(CCC(F)(F)F)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H32F3N3O6S/c1-16(2,3)30-14(26)23-32(28,29)25(8-7-19(20,21)22)13-9-18(10-13)11-24(12-18)15(27)31-17(4,5)6/h13H,7-12H2,1-6H3,(H,23,26)
InChIKeySPZIYTRXOSFTHM-UHFFFAOYSA-N
MW487.54 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 163275338) has the molecular formula C19H32F3N3O6S and a molecular weight of 487.54 g/mol. Its IUPAC name is tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID163275338
Molecular FormulaC19H32F3N3O6S
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC Nametert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)N(CCC(F)(F)F)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H32F3N3O6S/c1-16(2,3)30-14(26)23-32(28,29)25(8-7-19(20,21)22)13-9-18(10-13)11-24(12-18)15(27)31-17(4,5)6/h13H,7-12H2,1-6H3,(H,23,26)
InChIKeySPZIYTRXOSFTHM-UHFFFAOYSA-N
XLogP3.41
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163275541
tert-butyl N-[[2-(7-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-2-azaspiro[3.3]heptan-6-yl]-(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 164757962
tert-butyl 6-[ethyl-(methylideneamino)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 156792254
tert-butyl 6-[[4-(trifluoromethyl)cyclohexyl]methylamino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163275618
tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
CID 178194398
bis(tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 164886537
tert-butyl 6-(2-methylhydrazinyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 156512590
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 6-[(E)-hydroxyiminomethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 170578230
CID 176582761
CID 176582761
tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 162745655

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate (CID 163275338) is tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)NS(=O)(=O)N(CCC(F)(F)F)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is SPZIYTRXOSFTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F3N3O6S/c1-16(2,3)30-14(26)23-32(28,29)25(8-7-19(20,21)22)13-9-18(10-13)11-24(12-18)15(27)31-17(4,5)6/h13H,7-12H2,1-6H3,(H,23,26).
What are the key properties of tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 487.54 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 163275338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).