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

C11H15FN2O3S — CID 174244386

IUPAC[1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESO=C(CCN1C(=O)CC(SF)C1=O)NCC1CC1
InChIInChI=1S/C11H15FN2O3S/c12-18-8-5-10(16)14(11(8)17)4-3-9(15)13-6-7-1-2-7/h7-8H,1-6H2,(H,13,15)
InChIKeyZJBYYVOPSJBWNX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.65
Rot. Bonds6

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

[1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (PubChem CID 174244386) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
PubChem CID174244386
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name[1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESO=C(CCN1C(=O)CC(SF)C1=O)NCC1CC1
InChIInChI=1S/C11H15FN2O3S/c12-18-8-5-10(16)14(11(8)17)4-3-9(15)13-6-7-1-2-7/h7-8H,1-6H2,(H,13,15)
InChIKeyZJBYYVOPSJBWNX-UHFFFAOYSA-N
XLogP0.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The IUPAC name of [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (CID 174244386) is [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.
What is the SMILES notation for [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The canonical SMILES for [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is O=C(CCN1C(=O)CC(SF)C1=O)NCC1CC1.
What is the InChIKey of [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The InChIKey is ZJBYYVOPSJBWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-18-8-5-10(16)14(11(8)17)4-3-9(15)13-6-7-1-2-7/h7-8H,1-6H2,(H,13,15).
What are the key properties of [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
[1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite has a molecular weight of 274.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(cyclopropylmethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is sourced from PubChem (CID 174244386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).