ethyl carbamimidate;hydrogen sulfate;hydron

C3H10N2O5S — CID 173067912

IUPACethyl carbamimidate;hydrogen sulfate;hydron
SMILESO=S(=O)([O-])O.[H+].[H]/N=C(/N)OCC
InChIInChI=1S/C3H8N2O.H2O4S/c1-2-6-3(4)5;1-5(2,3)4/h2H2,1H3,(H3,4,5);(H2,1,2,3,4)
InChIKeyOKUFUXAMGDXADB-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.97
Rot. Bonds1

About ethyl carbamimidate;hydrogen sulfate;hydron

ethyl carbamimidate;hydrogen sulfate;hydron (PubChem CID 173067912) has the molecular formula C3H10N2O5S and a molecular weight of 186.19 g/mol. Its IUPAC name is ethyl carbamimidate;hydrogen sulfate;hydron.

Molecular Properties

Compound Nameethyl carbamimidate;hydrogen sulfate;hydron
PubChem CID173067912
Molecular FormulaC3H10N2O5S
Molecular Weight186.19 g/mol
Exact Mass186.03
IUPAC Nameethyl carbamimidate;hydrogen sulfate;hydron
SMILESO=S(=O)([O-])O.[H+].[H]/N=C(/N)OCC
InChIInChI=1S/C3H8N2O.H2O4S/c1-2-6-3(4)5;1-5(2,3)4/h2H2,1H3,(H3,4,5);(H2,1,2,3,4)
InChIKeyOKUFUXAMGDXADB-UHFFFAOYSA-N
XLogP-0.97
TPSA136.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamimidate;hydrogen sulfate;hydron?
The IUPAC name of ethyl carbamimidate;hydrogen sulfate;hydron (CID 173067912) is ethyl carbamimidate;hydrogen sulfate;hydron.
What is the SMILES notation for ethyl carbamimidate;hydrogen sulfate;hydron?
The canonical SMILES for ethyl carbamimidate;hydrogen sulfate;hydron is O=S(=O)([O-])O.[H+].[H]/N=C(/N)OCC.
What is the InChIKey of ethyl carbamimidate;hydrogen sulfate;hydron?
The InChIKey is OKUFUXAMGDXADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.H2O4S/c1-2-6-3(4)5;1-5(2,3)4/h2H2,1H3,(H3,4,5);(H2,1,2,3,4).
What are the key properties of ethyl carbamimidate;hydrogen sulfate;hydron?
ethyl carbamimidate;hydrogen sulfate;hydron has a molecular weight of 186.19 g/mol, XLogP of -0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamimidate;hydrogen sulfate;hydron is sourced from PubChem (CID 173067912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).