N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide

C9H22N4O3S — CID 76947716

IUPACN'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H22N4O3S/c1-5-8(6-9(10)11-14)12-17(15,16)13(4)7(2)3/h7-8,12,14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyVMOQDQNBVPTWPY-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.08
Rot. Bonds7

About N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide

N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide (PubChem CID 76947716) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
PubChem CID76947716
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC NameN'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
SMILESCCC(CC(N)=NO)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H22N4O3S/c1-5-8(6-9(10)11-14)12-17(15,16)13(4)7(2)3/h7-8,12,14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyVMOQDQNBVPTWPY-UHFFFAOYSA-N
XLogP0.08
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.08
H-Bond Donors ≤ 53
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'}

Analyze N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide 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-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
N'-hydroxy-2-methyl-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 54991892
3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992516
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54992758
3-[diethylsulfamoyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996531
N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide
CID 54996578
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
CID 54996963
3-[azepan-1-ylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 55175506
N'-hydroxy-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453563
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide (CID 76947716) is N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide is CCC(CC(N)=NO)NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide?
The InChIKey is VMOQDQNBVPTWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-5-8(6-9(10)11-14)12-17(15,16)13(4)7(2)3/h7-8,12,14H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide?
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide has a molecular weight of 266.37 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide is sourced from PubChem (CID 76947716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).