oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate

C104H204N14O19S3Si6 — CID 123869037

About oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate

oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate (PubChem CID 123869037) has the molecular formula C104H204N14O19S3Si6 and a molecular weight of 2219.57 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate.

Molecular Properties

• Compound Name: oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate
• PubChem CID: 123869037
• Molecular Formula: C104H204N14O19S3Si6
• Molecular Weight: 2219.57 g/mol
• Exact Mass: 2217.32
• IUPAC Name: oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate
• SMILES: CCO[SiH](C)CCCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.C[SiH2]C(C)CCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.C[SiH2]CCCN(CCC[SiH2]C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.C[SiH2]CCCNC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.C[SiH2]CCCSC(=O)NC1CC(C)(C)CC(C)(CNC(=O)SCC2CS2)C1
• InChI: InChI=1S/C23H47N3O4Si2.C22H43N3O5Si.C21H41N3O4Si.C19H37N3O4Si.C19H36N2O2S3Si/c1-22(2)12-18(25-20(27)26(8-6-10-31-4)9-7-11-32-5)13-23(3,16-22)17-24-21(28)30-15-19-14-29-19;1-7-30-31(6)10-8-9-25(5)19(26)24-17-11-21(2,3)15-22(4,12-17)16-23-20(27)29-14-18-13-28-18;1-15(29-6)7-8-24(5)18(25)23-16-9-20(2,3)13-21(4,10-16)14-22-19(26)28-12-17-11-27-17;1-18(2)8-14(22-16(23)20-6-5-7-27-4)9-19(3,12-18)13-21-17(24)26-11-15-10-25-15;1-18(2)8-14(21-17(23)24-6-5-7-27-4)9-19(3,12-18)13-20-16(22)26-11-15-10-25-15/h18-19H,6-17,31-32H2,1-5H3,(H,24,28)(H,25,27);17-18,31H,7-16H2,1-6H3,(H,23,27)(H,24,26);15-17H,7-14,29H2,1-6H3,(H,22,26)(H,23,25);14-15H,5-13,27H2,1-4H3,(H,21,24)(H2,20,22,23);14-15H,5-13,27H2,1-4H3,(H,20,22)(H,21,23)
• InChIKey: PZCDYYLWLYFMPA-UHFFFAOYSA-N
• XLogP: 15.25
• TPSA: 409.02 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 51
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.57
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate?

The IUPAC name of oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate (CID 123869037) is oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate.

What is the SMILES notation for oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate?

The canonical SMILES for oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate is CCO[SiH](C)CCCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.C[SiH2]C(C)CCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.C[SiH2]CCCN(CCC[SiH2]C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.C[SiH2]CCCNC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.C[SiH2]CCCSC(=O)NC1CC(C)(C)CC(C)(CNC(=O)SCC2CS2)C1.

What is the InChIKey of oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate?

The InChIKey is PZCDYYLWLYFMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O4Si2.C22H43N3O5Si.C21H41N3O4Si.C19H37N3O4Si.C19H36N2O2S3Si/c1-22(2)12-18(25-20(27)26(8-6-10-31-4)9-7-11-32-5)13-23(3,16-22)17-24-21(28)30-15-19-14-29-19;1-7-30-31(6)10-8-9-25(5)19(26)24-17-11-21(2,3)15-22(4,12-17)16-23-20(27)29-14-18-13-28-18;1-15(29-6)7-8-24(5)18(25)23-16-9-20(2,3)13-21(4,10-16)14-22-19(26)28-12-17-11-27-17;1-18(2)8-14(22-16(23)20-6-5-7-27-4)9-19(3,12-18)13-21-17(24)26-11-15-10-25-15;1-18(2)8-14(21-17(23)24-6-5-7-27-4)9-19(3,12-18)13-20-16(22)26-11-15-10-25-15/h18-19H,6-17,31-32H2,1-5H3,(H,24,28)(H,25,27);17-18,31H,7-16H2,1-6H3,(H,23,27)(H,24,26);15-17H,7-14,29H2,1-6H3,(H,22,26)(H,23,25);14-15H,5-13,27H2,1-4H3,(H,21,24)(H2,20,22,23);14-15H,5-13,27H2,1-4H3,(H,20,22)(H,21,23).

What are the key properties of oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate?

oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate has a molecular weight of 2219.57 g/mol, XLogP of 15.25, 51 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate is sourced from PubChem (CID 123869037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).