4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C6H12N6O2S — CID 142416522

IUPAC4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNSCCCNc1nonc1/C(N)=N\O
InChIInChI=1S/C6H12N6O2S/c7-5(10-13)4-6(12-14-11-4)9-2-1-3-15-8/h13H,1-3,8H2,(H2,7,10)(H,9,12)
InChIKeyORGWSFSWDYFSAJ-UHFFFAOYSA-N
MW232.27 g/mol
LogP-0.43
Rot. Bonds6

About 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 142416522) has the molecular formula C6H12N6O2S and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID142416522
Molecular FormulaC6H12N6O2S
Molecular Weight232.27 g/mol
Exact Mass232.07
IUPAC Name4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNSCCCNc1nonc1/C(N)=N\O
InChIInChI=1S/C6H12N6O2S/c7-5(10-13)4-6(12-14-11-4)9-2-1-3-15-8/h13H,1-3,8H2,(H2,7,10)(H,9,12)
InChIKeyORGWSFSWDYFSAJ-UHFFFAOYSA-N
XLogP-0.43
TPSA135.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CID 142416522) is 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide is NSCCCNc1nonc1/C(N)=N\O.
What is the InChIKey of 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is ORGWSFSWDYFSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O2S/c7-5(10-13)4-6(12-14-11-4)9-2-1-3-15-8/h13H,1-3,8H2,(H2,7,10)(H,9,12).
What are the key properties of 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 232.27 g/mol, XLogP of -0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminosulfanylpropylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 142416522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).