[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate

C10H15N3O3S2 — CID 3849867

IUPAC[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate
SMILESO=C1CCN(C(=O)CSC(=S)N2CCOCC2)N1
InChIInChI=1S/C10H15N3O3S2/c14-8-1-2-13(11-8)9(15)7-18-10(17)12-3-5-16-6-4-12/h1-7H2,(H,11,14)
InChIKeyMHVGVZXYGRZXIF-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.40
Rot. Bonds2

About [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate

[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate (PubChem CID 3849867) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate
PubChem CID3849867
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate
SMILESO=C1CCN(C(=O)CSC(=S)N2CCOCC2)N1
InChIInChI=1S/C10H15N3O3S2/c14-8-1-2-13(11-8)9(15)7-18-10(17)12-3-5-16-6-4-12/h1-7H2,(H,11,14)
InChIKeyMHVGVZXYGRZXIF-UHFFFAOYSA-N
XLogP-0.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate?
The IUPAC name of [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate (CID 3849867) is [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate.
What is the SMILES notation for [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate?
The canonical SMILES for [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate is O=C1CCN(C(=O)CSC(=S)N2CCOCC2)N1.
What is the InChIKey of [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate?
The InChIKey is MHVGVZXYGRZXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c14-8-1-2-13(11-8)9(15)7-18-10(17)12-3-5-16-6-4-12/h1-7H2,(H,11,14).
What are the key properties of [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate?
[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate has a molecular weight of 289.38 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate is sourced from PubChem (CID 3849867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).