2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate

C11H18N2OS3 — CID 1384261

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
SMILESO=C1CCCN1CCSC(=S)N1CCSCC1
InChIInChI=1S/C11H18N2OS3/c14-10-2-1-3-12(10)6-9-17-11(15)13-4-7-16-8-5-13/h1-9H2
InChIKeyPRIZKZMGLVKABI-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.68
Rot. Bonds3

About 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate

2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate (PubChem CID 1384261) has the molecular formula C11H18N2OS3 and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
PubChem CID1384261
Molecular FormulaC11H18N2OS3
Molecular Weight290.48 g/mol
Exact Mass290.06
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
SMILESO=C1CCCN1CCSC(=S)N1CCSCC1
InChIInChI=1S/C11H18N2OS3/c14-10-2-1-3-12(10)6-9-17-11(15)13-4-7-16-8-5-13/h1-9H2
InChIKeyPRIZKZMGLVKABI-UHFFFAOYSA-N
XLogP1.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate (CID 1384261) is 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate is O=C1CCCN1CCSC(=S)N1CCSCC1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate?
The InChIKey is PRIZKZMGLVKABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS3/c14-10-2-1-3-12(10)6-9-17-11(15)13-4-7-16-8-5-13/h1-9H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate?
2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate has a molecular weight of 290.48 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate is sourced from PubChem (CID 1384261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).