methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate

C6H11N3O3S — CID 56997780

IUPACmethyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate
SMILESCSC(=NOC(=O)N(C)C)C(N)=O
InChIInChI=1S/C6H11N3O3S/c1-9(2)6(11)12-8-5(13-3)4(7)10/h1-3H3,(H2,7,10)
InChIKeyRIOYVQOZOVYFSS-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.15
Rot. Bonds1

About methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate

methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate (PubChem CID 56997780) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate.

Molecular Properties

Compound Namemethyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate
PubChem CID56997780
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Namemethyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate
SMILESCSC(=NOC(=O)N(C)C)C(N)=O
InChIInChI=1S/C6H11N3O3S/c1-9(2)6(11)12-8-5(13-3)4(7)10/h1-3H3,(H2,7,10)
InChIKeyRIOYVQOZOVYFSS-UHFFFAOYSA-N
XLogP-0.15
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
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 methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate?
The IUPAC name of methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate (CID 56997780) is methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate.
What is the SMILES notation for methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate?
The canonical SMILES for methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate is CSC(=NOC(=O)N(C)C)C(N)=O.
What is the InChIKey of methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate?
The InChIKey is RIOYVQOZOVYFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-9(2)6(11)12-8-5(13-3)4(7)10/h1-3H3,(H2,7,10).
What are the key properties of methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate?
methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate has a molecular weight of 205.24 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-N-(dimethylcarbamoyloxy)-2-oxoethanimidothioate is sourced from PubChem (CID 56997780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).