N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane

C93H118N24O16S4 — CID 157299492

About N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane

N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane (PubChem CID 157299492) has the molecular formula C93H118N24O16S4 and a molecular weight of 1956.39 g/mol. Its IUPAC name is N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane.

Molecular Properties

• Compound Name: N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane
• PubChem CID: 157299492
• Molecular Formula: C93H118N24O16S4
• Molecular Weight: 1956.39 g/mol
• Exact Mass: 1954.80
• IUPAC Name: N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane
• SMILES: C.C.C.C.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2N2CCC(C)CC2)=N1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CS(=O)(=O)N(C)S(=O)(=O)C3)cc2N2CCC(C)CC2)[nH]1.[C-]#[N+]c1nc(C(=O)Nc2ccc(C3CS(=O)(=O)NS(=O)(=O)C3)cc2N2CCC3(CCCC3)CC2)n[nH]1
• InChI: InChI=1S/C24H25N5O3.C22H27N7O5S2.C22H24N6O3.C21H26N6O5S2.4CH4/c1-24(2)10-8-14(9-11-24)22-17(28-23(32)18-6-7-19(25-3)26-18)5-4-16(27-22)15-12-20(30)29-21(31)13-15;1-23-21-25-19(26-27-21)20(30)24-17-5-4-15(16-13-35(31,32)28-36(33,34)14-16)12-18(17)29-10-8-22(9-11-29)6-2-3-7-22;1-13-7-9-28(10-8-13)21-16(26-22(31)17-5-6-18(23-2)24-17)4-3-15(25-21)14-11-19(29)27-20(30)12-14;1-14-6-8-27(9-7-14)18-10-15(16-12-33(29,30)26(3)34(31,32)13-16)4-5-17(18)24-21(28)20-23-11-19(22-2)25-20;;;;/h4-5,7-8,15H,6,9-13H2,1-2H3,(H,28,32)(H,29,30,31);4-5,12,16,28H,2-3,6-11,13-14H2,(H,24,30)(H,25,26,27);3-4,6,13-14H,5,7-12H2,1H3,(H,26,31)(H,27,29,30);4-5,10-11,14,16H,6-9,12-13H2,1,3H3,(H,23,25)(H,24,28);4*1H4
• InChIKey: BBSQQQKAWFBTTH-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 508.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1956.39
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane?

The IUPAC name of N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane (CID 157299492) is N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane.

What is the SMILES notation for N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane?

The canonical SMILES for N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane is C.C.C.C.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2N2CCC(C)CC2)=N1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CS(=O)(=O)N(C)S(=O)(=O)C3)cc2N2CCC(C)CC2)[nH]1.[C-]#[N+]c1nc(C(=O)Nc2ccc(C3CS(=O)(=O)NS(=O)(=O)C3)cc2N2CCC3(CCCC3)CC2)n[nH]1.

What is the InChIKey of N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane?

The InChIKey is BBSQQQKAWFBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C22H27N7O5S2.C22H24N6O3.C21H26N6O5S2.4CH4/c1-24(2)10-8-14(9-11-24)22-17(28-23(32)18-6-7-19(25-3)26-18)5-4-16(27-22)15-12-20(30)29-21(31)13-15;1-23-21-25-19(26-27-21)20(30)24-17-5-4-15(16-13-35(31,32)28-36(33,34)14-16)12-18(17)29-10-8-22(9-11-29)6-2-3-7-22;1-13-7-9-28(10-8-13)21-16(26-22(31)17-5-6-18(23-2)24-17)4-3-15(25-21)14-11-19(29)27-20(30)12-14;1-14-6-8-27(9-7-14)18-10-15(16-12-33(29,30)26(3)34(31,32)13-16)4-5-17(18)24-21(28)20-23-11-19(22-2)25-20;;;;/h4-5,7-8,15H,6,9-13H2,1-2H3,(H,28,32)(H,29,30,31);4-5,12,16,28H,2-3,6-11,13-14H2,(H,24,30)(H,25,26,27);3-4,6,13-14H,5,7-12H2,1H3,(H,26,31)(H,27,29,30);4-5,10-11,14,16H,6-9,12-13H2,1,3H3,(H,23,25)(H,24,28);4*1H4.

What are the key properties of N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane?

N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane has a molecular weight of 1956.39 g/mol, XLogP of 12.92, 16 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-5-isocyano-1H-1,2,4-triazole-3-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-3H-pyrrole-2-carboxamide;5-isocyano-N-[2-(4-methylpiperidin-1-yl)-4-(2-methyl-1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;methane is sourced from PubChem (CID 157299492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).