(2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate

C6H11N3O3S — CID 73180595

IUPAC(2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate
SMILESCNC(=O)ON=C(C)SCC(N)=O
InChIInChI=1S/C6H11N3O3S/c1-4(13-3-5(7)10)9-12-6(11)8-2/h3H2,1-2H3,(H2,7,10)(H,8,11)
InChIKeyWTYFBTGEGFZOGF-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.11
Rot. Bonds3

About (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate

(2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate (PubChem CID 73180595) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate
PubChem CID73180595
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Name(2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate
SMILESCNC(=O)ON=C(C)SCC(N)=O
InChIInChI=1S/C6H11N3O3S/c1-4(13-3-5(7)10)9-12-6(11)8-2/h3H2,1-2H3,(H2,7,10)(H,8,11)
InChIKeyWTYFBTGEGFZOGF-UHFFFAOYSA-N
XLogP-0.11
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate?
The IUPAC name of (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate (CID 73180595) is (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate?
The canonical SMILES for (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate is CNC(=O)ON=C(C)SCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate?
The InChIKey is WTYFBTGEGFZOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-4(13-3-5(7)10)9-12-6(11)8-2/h3H2,1-2H3,(H2,7,10)(H,8,11).
What are the key properties of (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate?
(2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate has a molecular weight of 205.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-(methylcarbamoyloxy)ethanimidothioate is sourced from PubChem (CID 73180595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).