N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide

C3H10N4O3S — CID 104978306

IUPACN'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
SMILESCNS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C3H10N4O3S/c1-5-11(9,10)6-2-3(4)7-8/h5-6,8H,2H2,1H3,(H2,4,7)
InChIKeyHXUYANGBQJALQM-UHFFFAOYSA-N
MW182.20 g/mol
LogP-2.21
Rot. Bonds4

About N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide

N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide (PubChem CID 104978306) has the molecular formula C3H10N4O3S and a molecular weight of 182.20 g/mol. Its IUPAC name is N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
PubChem CID104978306
Molecular FormulaC3H10N4O3S
Molecular Weight182.20 g/mol
Exact Mass182.05
IUPAC NameN'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
SMILESCNS(=O)(=O)NCC(N)=NO
InChIInChI=1S/C3H10N4O3S/c1-5-11(9,10)6-2-3(4)7-8/h5-6,8H,2H2,1H3,(H2,4,7)
InChIKeyHXUYANGBQJALQM-UHFFFAOYSA-N
XLogP-2.21
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide (CID 104978306) is N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide is CNS(=O)(=O)NCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The InChIKey is HXUYANGBQJALQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O3S/c1-5-11(9,10)6-2-3(4)7-8/h5-6,8H,2H2,1H3,(H2,4,7).
What are the key properties of N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide has a molecular weight of 182.20 g/mol, XLogP of -2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).