9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride)

C56H96N8O12S — CID 158411422

About 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride)

9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride) (PubChem CID 158411422) has the molecular formula C56H96N8O12S and a molecular weight of 1111.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride).

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride)
• PubChem CID: 158411422
• Molecular Formula: C56H96N8O12S
• Molecular Weight: 1111.52 g/mol
• Exact Mass: 1110.71
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride)
• SMILES: CNCCOCCOCCN1CCCC1.CSC1CC(=O)N(CCC(=O)NCCOCCOCCN2CCCC2)C1=O.O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCCOCCOCCN1CCCC1.[H][3H].[H][3H].[H][3H]
• InChI: InChI=1S/C27H35N3O5.C18H31N3O5S.C11H24N2O2.3H2/c31-26(28-11-15-33-17-18-34-16-14-30-12-5-6-13-30)19-29-27(32)35-20-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25;1-27-15-14-17(23)21(18(15)24)8-4-16(22)19-5-10-25-12-13-26-11-9-20-6-2-3-7-20;1-12-4-8-14-10-11-15-9-7-13-5-2-3-6-13;;;/h1-4,7-10,25H,5-6,11-20H2,(H,28,31)(H,29,32);15H,2-14H2,1H3,(H,19,22);12H,2-11H2,1H3;3*1H/i;;;3*1+2
• InChIKey: GZJBOAVECYAVKL-XVHSCONJSA-N
• XLogP: 3.96
• TPSA: 211.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 35
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.52
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride)?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride) (CID 158411422) is 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride).

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride)?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride) is CNCCOCCOCCN1CCCC1.CSC1CC(=O)N(CCC(=O)NCCOCCOCCN2CCCC2)C1=O.O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCCOCCOCCN1CCCC1.[H][3H].[H][3H].[H][3H].

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride)?

The InChIKey is GZJBOAVECYAVKL-XVHSCONJSA-N. The full InChI is InChI=1S/C27H35N3O5.C18H31N3O5S.C11H24N2O2.3H2/c31-26(28-11-15-33-17-18-34-16-14-30-12-5-6-13-30)19-29-27(32)35-20-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25;1-27-15-14-17(23)21(18(15)24)8-4-16(22)19-5-10-25-12-13-26-11-9-20-6-2-3-7-20;1-12-4-8-14-10-11-15-9-7-13-5-2-3-6-13;;;/h1-4,7-10,25H,5-6,11-20H2,(H,28,31)(H,29,32);15H,2-14H2,1H3,(H,19,22);12H,2-11H2,1H3;3*1H/i;;;3*1+2.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride)?

9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride) has a molecular weight of 1111.52 g/mol, XLogP of 3.96, 35 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-oxo-2-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethylamino]ethyl]carbamate;N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine;3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide;tris(tritium monohydride) is sourced from PubChem (CID 158411422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).