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

C96H143ClF3N19O20S4 — CID 165102561

About 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

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 (PubChem CID 165102561) has the molecular formula C96H143ClF3N19O20S4 and a molecular weight of 2104.03 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 165102561
• Molecular Formula: C96H143ClF3N19O20S4
• Molecular Weight: 2104.03 g/mol
• Exact Mass: 2101.93
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)N1CC2(CC(=O)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(NC3CC3)C2)C1.CC(C)(C)OC(=O)NS(=O)(=O)N(C1CC1)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2.CN(C)c1cc[n+](S(=O)(=O)N=C([O-])OC(C)(C)C)cc1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4(CC(N(C5CC5)S(N)(=O)=O)C4)C3)c2cc1C.NS(=O)(=O)N(C1CC1)C1CC2(C1)CN(C(=O)C(F)(F)F)C2
• InChI: InChI=1S/C19H25N5O2S.C19H33N3O6S.C14H24N2O2.C12H19N3O4S.C11H16F3N3O3S.C11H17NO3.C10H9ClN2/c1-12-5-16-17(6-13(12)2)21-11-22-18(16)23-9-19(10-23)7-15(8-19)24(14-3-4-14)27(20,25)26;1-17(2,3)27-15(23)20-29(25,26)22(13-7-8-13)14-9-19(10-14)11-21(12-19)16(24)28-18(4,5)6;1-13(2,3)18-12(17)16-8-14(9-16)6-11(7-14)15-10-4-5-10;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;12-11(13,14)9(18)16-5-10(6-16)3-8(4-10)17(7-1-2-7)21(15,19)20;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/h5-6,11,14-15H,3-4,7-10H2,1-2H3,(H2,20,25,26);13-14H,7-12H2,1-6H3,(H,20,23);10-11,15H,4-9H2,1-3H3;6-9H,1-5H3;7-8H,1-6H2,(H2,15,19,20);4-7H2,1-3H3;3-5H,1-2H3
• InChIKey: YOVOZMGAFQZHAK-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 481.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2104.03
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CC2(CC(=O)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(NC3CC3)C2)C1.CC(C)(C)OC(=O)NS(=O)(=O)N(C1CC1)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2.CN(C)c1cc[n+](S(=O)(=O)N=C([O-])OC(C)(C)C)cc1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4(CC(N(C5CC5)S(N)(=O)=O)C4)C3)c2cc1C.NS(=O)(=O)N(C1CC1)C1CC2(C1)CN(C(=O)C(F)(F)F)C2.

What is the InChIKey of 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?

The InChIKey is YOVOZMGAFQZHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S.C19H33N3O6S.C14H24N2O2.C12H19N3O4S.C11H16F3N3O3S.C11H17NO3.C10H9ClN2/c1-12-5-16-17(6-13(12)2)21-11-22-18(16)23-9-19(10-23)7-15(8-19)24(14-3-4-14)27(20,25)26;1-17(2,3)27-15(23)20-29(25,26)22(13-7-8-13)14-9-19(10-14)11-21(12-19)16(24)28-18(4,5)6;1-13(2,3)18-12(17)16-8-14(9-16)6-11(7-14)15-10-4-5-10;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;12-11(13,14)9(18)16-5-10(6-16)3-8(4-10)17(7-1-2-7)21(15,19)20;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/h5-6,11,14-15H,3-4,7-10H2,1-2H3,(H2,20,25,26);13-14H,7-12H2,1-6H3,(H,20,23);10-11,15H,4-9H2,1-3H3;6-9H,1-5H3;7-8H,1-6H2,(H2,15,19,20);4-7H2,1-3H3;3-5H,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 2104.03 g/mol, XLogP of 11.00, 16 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 165102561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).