[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

C10H15FN2O4S — CID 178000247

IUPAC[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCOCCNC(=O)CCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C10H15FN2O4S/c1-17-5-3-12-8(14)2-4-13-9(15)6-7(18-11)10(13)16/h7H,2-6H2,1H3,(H,12,14)
InChIKeyPXYKPNQTPGZVGD-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.12
Rot. Bonds7

About [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (PubChem CID 178000247) has the molecular formula C10H15FN2O4S and a molecular weight of 278.31 g/mol. Its IUPAC name is [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
PubChem CID178000247
Molecular FormulaC10H15FN2O4S
Molecular Weight278.31 g/mol
Exact Mass278.07
IUPAC Name[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCOCCNC(=O)CCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C10H15FN2O4S/c1-17-5-3-12-8(14)2-4-13-9(15)6-7(18-11)10(13)16/h7H,2-6H2,1H3,(H,12,14)
InChIKeyPXYKPNQTPGZVGD-UHFFFAOYSA-N
XLogP-0.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The IUPAC name of [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (CID 178000247) is [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.
What is the SMILES notation for [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The canonical SMILES for [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is COCCNC(=O)CCN1C(=O)CC(SF)C1=O.
What is the InChIKey of [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The InChIKey is PXYKPNQTPGZVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S/c1-17-5-3-12-8(14)2-4-13-9(15)6-7(18-11)10(13)16/h7H,2-6H2,1H3,(H,12,14).
What are the key properties of [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite has a molecular weight of 278.31 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is sourced from PubChem (CID 178000247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).