carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate

C4H7N3O4S — CID 173369620

IUPACcarbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate
SMILESCNC(=O)OSN=COC(N)=O
InChIInChI=1S/C4H7N3O4S/c1-6-4(9)11-12-7-2-10-3(5)8/h2H,1H3,(H2,5,8)(H,6,9)
InChIKeyCPHLQYHBPJEKJQ-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.03
Rot. Bonds3

About carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate

carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate (PubChem CID 173369620) has the molecular formula C4H7N3O4S and a molecular weight of 193.18 g/mol. Its IUPAC name is carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate.

Molecular Properties

Compound Namecarbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate
PubChem CID173369620
Molecular FormulaC4H7N3O4S
Molecular Weight193.18 g/mol
Exact Mass193.02
IUPAC Namecarbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate
SMILESCNC(=O)OSN=COC(N)=O
InChIInChI=1S/C4H7N3O4S/c1-6-4(9)11-12-7-2-10-3(5)8/h2H,1H3,(H2,5,8)(H,6,9)
InChIKeyCPHLQYHBPJEKJQ-UHFFFAOYSA-N
XLogP0.03
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.03
H-Bond Donors ≤ 52
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': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl (iminomethoxymethyl)-carbamate
CID 15037334
Methylcarbamoyl methanimidate
CID 143430752

Frequently Asked Questions

What is the IUPAC name of carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate?
The IUPAC name of carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate (CID 173369620) is carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate.
What is the SMILES notation for carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate?
The canonical SMILES for carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate is CNC(=O)OSN=COC(N)=O.
What is the InChIKey of carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate?
The InChIKey is CPHLQYHBPJEKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O4S/c1-6-4(9)11-12-7-2-10-3(5)8/h2H,1H3,(H2,5,8)(H,6,9).
What are the key properties of carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate?
carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate has a molecular weight of 193.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate is sourced from PubChem (CID 173369620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).