N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane

C105H145N19O13S3 — CID 157206337

About N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane

N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane (PubChem CID 157206337) has the molecular formula C105H145N19O13S3 and a molecular weight of 1977.64 g/mol. Its IUPAC name is N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane.

Molecular Properties

• Compound Name: N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane
• PubChem CID: 157206337
• Molecular Formula: C105H145N19O13S3
• Molecular Weight: 1977.64 g/mol
• Exact Mass: 1976.04
• IUPAC Name: N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane
• SMILES: C.C.C.C.CCN1CC(c2ccc(NC(=O)C3=NC(C)=CC3)c(N3CCC(C)CC3)c2)CN(CC)S1(=O)=O.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CS(=O)(=O)NS(=O)(=O)C3)cc2C2=CCC3(CCCCC3)CC2)=C1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2N2CCC(C)(C)CC2)o1
• InChI: InChI=1S/C27H31N3O5S2.C25H37N5O3S.C25H31N5O3.C24H30N6O2.4CH4/c1-28-23-7-5-21(15-23)26(31)29-25-8-6-20(22-17-36(32,33)30-37(34,35)18-22)16-24(25)19-9-13-27(14-10-19)11-3-2-4-12-27;1-5-29-16-21(17-30(6-2)34(29,32)33)20-8-10-22(27-25(31)23-9-7-19(4)26-23)24(15-20)28-13-11-18(3)12-14-28;1-25(2)10-12-30(13-11-25)20-14-17(18-15-28(4)24(32)29(5)16-18)6-7-19(20)27-23(31)21-8-9-22(26-3)33-21;1-16-9-11-30(12-10-16)21-13-17(18-14-28(3)24(32)29(4)15-18)5-6-19(21)27-23(31)20-7-8-22(25-2)26-20;;;;/h6-9,15-16,22,30H,2-5,10-14,17-18H2,(H,29,31);7-8,10,15,18,21H,5-6,9,11-14,16-17H2,1-4H3,(H,27,31);6-9,14,18H,10-13,15-16H2,1-2,4-5H3,(H,27,31);5-6,8,13,16,18H,7,9-12,14-15H2,1,3-4H3,(H,27,31);4*1H4
• InChIKey: ARKCDDWODJFNME-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 345.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.64
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane?

The IUPAC name of N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane (CID 157206337) is N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane.

What is the SMILES notation for N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane?

The canonical SMILES for N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane is C.C.C.C.CCN1CC(c2ccc(NC(=O)C3=NC(C)=CC3)c(N3CCC(C)CC3)c2)CN(CC)S1(=O)=O.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2N2CCC(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3CS(=O)(=O)NS(=O)(=O)C3)cc2C2=CCC3(CCCCC3)CC2)=C1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)cc2N2CCC(C)(C)CC2)o1.

What is the InChIKey of N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane?

The InChIKey is ARKCDDWODJFNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5S2.C25H37N5O3S.C25H31N5O3.C24H30N6O2.4CH4/c1-28-23-7-5-21(15-23)26(31)29-25-8-6-20(22-17-36(32,33)30-37(34,35)18-22)16-24(25)19-9-13-27(14-10-19)11-3-2-4-12-27;1-5-29-16-21(17-30(6-2)34(29,32)33)20-8-10-22(27-25(31)23-9-7-19(4)26-23)24(15-20)28-13-11-18(3)12-14-28;1-25(2)10-12-30(13-11-25)20-14-17(18-15-28(4)24(32)29(5)16-18)6-7-19(20)27-23(31)21-8-9-22(26-3)33-21;1-16-9-11-30(12-10-16)21-13-17(18-14-28(3)24(32)29(4)15-18)5-6-19(21)27-23(31)20-7-8-22(25-2)26-20;;;;/h6-9,15-16,22,30H,2-5,10-14,17-18H2,(H,29,31);7-8,10,15,18,21H,5-6,9,11-14,16-17H2,1-4H3,(H,27,31);6-9,14,18H,10-13,15-16H2,1-2,4-5H3,(H,27,31);5-6,8,13,16,18H,7,9-12,14-15H2,1,3-4H3,(H,27,31);4*1H4.

What are the key properties of N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane?

N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane has a molecular weight of 1977.64 g/mol, XLogP of 19.10, 18 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-diethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-methyl-3H-pyrrole-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;3-isocyano-N-[2-spiro[5.5]undec-3-en-3-yl-4-(1,1,3,3-tetraoxo-1,3,2-dithiazinan-5-yl)phenyl]cyclopenta-1,3-diene-1-carboxamide;methane is sourced from PubChem (CID 157206337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).