1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C18H38N2O9P2S2 — CID 175065393

IUPAC1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC.CC.O=C1C=C(N2CCOCC2)C(=O)N1C1CCCCC1.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C14H20N2O3.2C2H6.2H3O3PS/c17-13-10-12(15-6-8-19-9-7-15)14(18)16(13)11-4-2-1-3-5-11;2*1-2;2*1-4(2,3)5/h10-11H,1-9H2;2*1-2H3;2*(H3,1,2,3,5)
InChIKeyPJHGBLHGUVOCHG-UHFFFAOYSA-N
MW552.59 g/mol
LogP1.33
Rot. Bonds2

About 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 175065393) has the molecular formula C18H38N2O9P2S2 and a molecular weight of 552.59 g/mol. Its IUPAC name is 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Name1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID175065393
Molecular FormulaC18H38N2O9P2S2
Molecular Weight552.59 g/mol
Exact Mass552.15
IUPAC Name1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC.CC.O=C1C=C(N2CCOCC2)C(=O)N1C1CCCCC1.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C14H20N2O3.2C2H6.2H3O3PS/c17-13-10-12(15-6-8-19-9-7-15)14(18)16(13)11-4-2-1-3-5-11;2*1-2;2*1-4(2,3)5/h10-11H,1-9H2;2*1-2H3;2*(H3,1,2,3,5)
InChIKeyPJHGBLHGUVOCHG-UHFFFAOYSA-N
XLogP1.33
TPSA171.23 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.59
LogP ≤ 51.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 175065393) is 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CC.CC.O=C1C=C(N2CCOCC2)C(=O)N1C1CCCCC1.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is PJHGBLHGUVOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.2C2H6.2H3O3PS/c17-13-10-12(15-6-8-19-9-7-15)14(18)16(13)11-4-2-1-3-5-11;2*1-2;2*1-4(2,3)5/h10-11H,1-9H2;2*1-2H3;2*(H3,1,2,3,5).
What are the key properties of 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 552.59 g/mol, XLogP of 1.33, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-morpholin-4-ylpyrrole-2,5-dione;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 175065393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).