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

C9H22N4O3S — CID 54947205

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

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

N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide (PubChem CID 54947205) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
PubChem CID54947205
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC NameN'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
SMILESCCCC(NS(=O)(=O)N(C)C(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-5-6-8(9(10)11-14)12-17(15,16)13(4)7(2)3/h7-8,12,14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyMKLLNKPVTJJPMF-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide (CID 54947205) is N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide is CCCC(NS(=O)(=O)N(C)C(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide?
The InChIKey is MKLLNKPVTJJPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-5-6-8(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-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide?
N'-hydroxy-2-[[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-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide is sourced from PubChem (CID 54947205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).