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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-4-(3-methylsulfinylpropylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416532
N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416542
N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide
CID 137047037
ethane;N'-hydroxy-4-[[(2S)-2-sulfinamoyloxypropyl]amino]-1,2,5-oxadiazole-3-carboximidamide
CID 142298399
N'-hydroxy-4-[[4-(piperazin-1-ylmethyl)phenyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
CID 140510666
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
4-[2-(aminosulfanylamino)ethylamino]-N'-[(4-bromofuran-2-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 123202253
2-[[4-(N'-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]sulfanyl]-N-(2-hydroxyethyl)acetamide
CID 154004264
N'-[(3-bromo-4-fluorophenyl)methyl]-4-(2-ethylsulfanylethylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 134454458
N-ethyl-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]acetamide
CID 142298378
2-amino-3-[[4-[(Z)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]propanamide
CID 137296270
N-[2-[(4-cyano-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl]acetamide;N-[2-[[4-[(E)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]acetamide
CID 172953642

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).