tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide

C93H147ClF3N18O21PS4 — CID 165089084

IUPACtert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide
SMILESCC(C)(C)OC(=O)N1CC2(CC(N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(N=[N+]=[N-])C2)C1.CC(C)(C)OC(=O)N1CC2(CC(NS(C)(=O)=O)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(O)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(OS(C)(=O)=O)C2)C1.CS(=O)(=O)NC1CC2(C1)CN(C(=O)C(F)(F)F)C2.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4(CC(NS(C)(=O)=O)C4)C3)c2cc1C.P
InChIInChI=1S/C17H22N4O2S.C12H22N2O4S.C12H21NO5S.C11H18N4O2.C11H20N2O2.C11H19NO3.C10H9ClN2.C9H13F3N2O3S.H3P/c1-11-4-14-15(5-12(11)2)18-10-19-16(14)21-8-17(9-21)6-13(7-17)20-24(3,22)23;1-11(2,3)18-10(15)14-7-12(8-14)5-9(6-12)13-19(4,16)17;1-11(2,3)17-10(14)13-7-12(8-13)5-9(6-12)18-19(4,15)16;1-10(2,3)17-9(16)15-6-11(7-15)4-8(5-11)13-14-12;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-18(16,17)13-6-2-8(3-6)4-14(5-8)7(15)9(10,11)12;/h4-5,10,13,20H,6-9H2,1-3H3;9,13H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,4-7,12H2,1-3H3;8,13H,4-7H2,1-3H3;3-5H,1-2H3;6,13H,2-5H2,1H3;1H3
InChIKeyWJXPIPDJYFKYLI-UHFFFAOYSA-N
MW2104.99 g/mol
LogP12.53
Rot. Bonds10

About tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide

tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide (PubChem CID 165089084) has the molecular formula C93H147ClF3N18O21PS4 and a molecular weight of 2104.99 g/mol. Its IUPAC name is tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide.

Molecular Properties

Compound Nametert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide
PubChem CID165089084
Molecular FormulaC93H147ClF3N18O21PS4
Molecular Weight2104.99 g/mol
Exact Mass2102.92
IUPAC Nametert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide
SMILESCC(C)(C)OC(=O)N1CC2(CC(N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(N=[N+]=[N-])C2)C1.CC(C)(C)OC(=O)N1CC2(CC(NS(C)(=O)=O)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(O)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(OS(C)(=O)=O)C2)C1.CS(=O)(=O)NC1CC2(C1)CN(C(=O)C(F)(F)F)C2.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4(CC(NS(C)(=O)=O)C4)C3)c2cc1C.P
InChIInChI=1S/C17H22N4O2S.C12H22N2O4S.C12H21NO5S.C11H18N4O2.C11H20N2O2.C11H19NO3.C10H9ClN2.C9H13F3N2O3S.H3P/c1-11-4-14-15(5-12(11)2)18-10-19-16(14)21-8-17(9-21)6-13(7-17)20-24(3,22)23;1-11(2,3)18-10(15)14-7-12(8-14)5-9(6-12)13-19(4,16)17;1-11(2,3)17-10(14)13-7-12(8-13)5-9(6-12)18-19(4,15)16;1-10(2,3)17-9(16)15-6-11(7-15)4-8(5-11)13-14-12;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-18(16,17)13-6-2-8(3-6)4-14(5-8)7(15)9(10,11)12;/h4-5,10,13,20H,6-9H2,1-3H3;9,13H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,4-7,12H2,1-3H3;8,13H,4-7H2,1-3H3;3-5H,1-2H3;6,13H,2-5H2,1H3;1H3
InChIKeyWJXPIPDJYFKYLI-UHFFFAOYSA-N
XLogP12.53
TPSA499.70 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002104.99
LogP ≤ 512.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide 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

N-[2-(azetidin-3-yl)ethyl]-1,1,1-trifluoromethanesulfonamide;tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate;tert-butyl 3-[2-(trifluoromethylsulfonylamino)ethyl]azetidine-1-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-[1-(6,7-dimethylquinazolin-4-yl)azetidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide;methane
CID 165097146
tert-butyl 6-(cyclopropylamino)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;4-[6-[cyclopropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-6,7-dimethylquinazoline;6-[cyclopropyl(sulfamoyl)amino]-2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptane;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 165102561

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide?
The IUPAC name of tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide (CID 165089084) is tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide.
What is the SMILES notation for tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide?
The canonical SMILES for tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide is CC(C)(C)OC(=O)N1CC2(CC(N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(N=[N+]=[N-])C2)C1.CC(C)(C)OC(=O)N1CC2(CC(NS(C)(=O)=O)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(O)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(OS(C)(=O)=O)C2)C1.CS(=O)(=O)NC1CC2(C1)CN(C(=O)C(F)(F)F)C2.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4(CC(NS(C)(=O)=O)C4)C3)c2cc1C.P.
What is the InChIKey of tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide?
The InChIKey is WJXPIPDJYFKYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.C12H22N2O4S.C12H21NO5S.C11H18N4O2.C11H20N2O2.C11H19NO3.C10H9ClN2.C9H13F3N2O3S.H3P/c1-11-4-14-15(5-12(11)2)18-10-19-16(14)21-8-17(9-21)6-13(7-17)20-24(3,22)23;1-11(2,3)18-10(15)14-7-12(8-14)5-9(6-12)13-19(4,16)17;1-11(2,3)17-10(14)13-7-12(8-13)5-9(6-12)18-19(4,15)16;1-10(2,3)17-9(16)15-6-11(7-15)4-8(5-11)13-14-12;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;1-18(16,17)13-6-2-8(3-6)4-14(5-8)7(15)9(10,11)12;/h4-5,10,13,20H,6-9H2,1-3H3;9,13H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,4-7,12H2,1-3H3;8,13H,4-7H2,1-3H3;3-5H,1-2H3;6,13H,2-5H2,1H3;1H3.
What are the key properties of tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide?
tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide has a molecular weight of 2104.99 g/mol, XLogP of 12.53, 10 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-azido-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(methanesulfonamido)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-methylsulfonyloxy-2-azaspiro[3.3]heptane-2-carboxylate;4-chloro-6,7-dimethylquinazoline;N-[2-(6,7-dimethylquinazolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide;phosphane;N-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide is sourced from PubChem (CID 165089084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).