N'-hydroxy-4-(sulfamoylamino)butanimidamide

C4H12N4O3S — CID 104985774

IUPACN'-hydroxy-4-(sulfamoylamino)butanimidamide
SMILESNC(CCCNS(N)(=O)=O)=NO
InChIInChI=1S/C4H12N4O3S/c5-4(8-9)2-1-3-7-12(6,10)11/h7,9H,1-3H2,(H2,5,8)(H2,6,10,11)
InChIKeyFJRLLVQXWFPJFX-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.69
Rot. Bonds5

About N'-hydroxy-4-(sulfamoylamino)butanimidamide

N'-hydroxy-4-(sulfamoylamino)butanimidamide (PubChem CID 104985774) has the molecular formula C4H12N4O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is N'-hydroxy-4-(sulfamoylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(sulfamoylamino)butanimidamide
PubChem CID104985774
Molecular FormulaC4H12N4O3S
Molecular Weight196.23 g/mol
Exact Mass196.06
IUPAC NameN'-hydroxy-4-(sulfamoylamino)butanimidamide
SMILESNC(CCCNS(N)(=O)=O)=NO
InChIInChI=1S/C4H12N4O3S/c5-4(8-9)2-1-3-7-12(6,10)11/h7,9H,1-3H2,(H2,5,8)(H2,6,10,11)
InChIKeyFJRLLVQXWFPJFX-UHFFFAOYSA-N
XLogP-1.69
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-(sulfamoylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(sulfamoylamino)butanimidamide (CID 104985774) is N'-hydroxy-4-(sulfamoylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(sulfamoylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(sulfamoylamino)butanimidamide is NC(CCCNS(N)(=O)=O)=NO.
What is the InChIKey of N'-hydroxy-4-(sulfamoylamino)butanimidamide?
The InChIKey is FJRLLVQXWFPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O3S/c5-4(8-9)2-1-3-7-12(6,10)11/h7,9H,1-3H2,(H2,5,8)(H2,6,10,11).
What are the key properties of N'-hydroxy-4-(sulfamoylamino)butanimidamide?
N'-hydroxy-4-(sulfamoylamino)butanimidamide has a molecular weight of 196.23 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(sulfamoylamino)butanimidamide is sourced from PubChem (CID 104985774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).