[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate

C10H15N3O4S — CID 57069929

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate
SMILESCNC(=O)ON=C(C)SCC(=O)N1CCCC1=O
InChIInChI=1S/C10H15N3O4S/c1-7(12-17-10(16)11-2)18-6-9(15)13-5-3-4-8(13)14/h3-6H2,1-2H3,(H,11,16)
InChIKeyAPTCZJFTHGKICK-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.56
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate (PubChem CID 57069929) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate
PubChem CID57069929
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate
SMILESCNC(=O)ON=C(C)SCC(=O)N1CCCC1=O
InChIInChI=1S/C10H15N3O4S/c1-7(12-17-10(16)11-2)18-6-9(15)13-5-3-4-8(13)14/h3-6H2,1-2H3,(H,11,16)
InChIKeyAPTCZJFTHGKICK-UHFFFAOYSA-N
XLogP0.56
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate (CID 57069929) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate is CNC(=O)ON=C(C)SCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate?
The InChIKey is APTCZJFTHGKICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(12-17-10(16)11-2)18-6-9(15)13-5-3-4-8(13)14/h3-6H2,1-2H3,(H,11,16).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate has a molecular weight of 273.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] N-(methylcarbamoyloxy)ethanimidothioate is sourced from PubChem (CID 57069929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).