(2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine)

C42H71N7O15S4 — CID 158532726

About (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine)

(2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine) (PubChem CID 158532726) has the molecular formula C42H71N7O15S4 and a molecular weight of 1042.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine).

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine)
• PubChem CID: 158532726
• Molecular Formula: C42H71N7O15S4
• Molecular Weight: 1042.33 g/mol
• Exact Mass: 1041.39
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine)
• SMILES: CC(O)C(C)OC(=O)NC(=O)CCSSc1ccccn1.CC(O)C(C)OC(N)=O.COCCNCCOC.COCCNCCOC.O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O
• InChI: InChI=1S/C13H18N2O4S2.C12H12N2O4S2.2C6H15NO2.C5H11NO3/c1-9(16)10(2)19-13(18)15-11(17)6-8-20-21-12-5-3-4-7-14-12;15-10-4-5-11(16)14(10)18-12(17)6-8-19-20-9-3-1-2-7-13-9;2*1-8-5-3-7-4-6-9-2;1-3(7)4(2)9-5(6)8/h3-5,7,9-10,16H,6,8H2,1-2H3,(H,15,17,18);1-3,7H,4-6,8H2;2*7H,3-6H2,1-2H3;3-4,7H,1-2H3,(H2,6,8)
• InChIKey: HNOLPTJBSROJAE-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 298.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.33
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine)?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine) (CID 158532726) is (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine).

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine)?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine) is CC(O)C(C)OC(=O)NC(=O)CCSSc1ccccn1.CC(O)C(C)OC(N)=O.COCCNCCOC.COCCNCCOC.O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine)?

The InChIKey is HNOLPTJBSROJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2.C12H12N2O4S2.2C6H15NO2.C5H11NO3/c1-9(16)10(2)19-13(18)15-11(17)6-8-20-21-12-5-3-4-7-14-12;15-10-4-5-11(16)14(10)18-12(17)6-8-19-20-9-3-1-2-7-13-9;2*1-8-5-3-7-4-6-9-2;1-3(7)4(2)9-5(6)8/h3-5,7,9-10,16H,6,8H2,1-2H3,(H,15,17,18);1-3,7H,4-6,8H2;2*7H,3-6H2,1-2H3;3-4,7H,1-2H3,(H2,6,8).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine)?

(2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine) has a molecular weight of 1042.33 g/mol, XLogP of 3.64, 27 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate;3-hydroxybutan-2-yl carbamate;3-hydroxybutan-2-yl N-[3-(pyridin-2-yldisulfanyl)propanoyl]carbamate;bis(2-methoxy-N-(2-methoxyethyl)ethanamine) is sourced from PubChem (CID 158532726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).