N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide

C8H20N4O3S — CID 76953165

IUPACN'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
SMILESCC(C)N(C)S(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-7(2)12(3)16(14,15)10-6-4-5-8(9)11-13/h7,10,13H,4-6H2,1-3H3,(H2,9,11)
InChIKeyBEOMXWCVLNXSMP-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.31
Rot. Bonds7

About N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide

N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide (PubChem CID 76953165) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
PubChem CID76953165
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC NameN'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
SMILESCC(C)N(C)S(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-7(2)12(3)16(14,15)10-6-4-5-8(9)11-13/h7,10,13H,4-6H2,1-3H3,(H2,9,11)
InChIKeyBEOMXWCVLNXSMP-UHFFFAOYSA-N
XLogP-0.31
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide (CID 76953165) is N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide is CC(C)N(C)S(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide?
The InChIKey is BEOMXWCVLNXSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-7(2)12(3)16(14,15)10-6-4-5-8(9)11-13/h7,10,13H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide?
N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide is sourced from PubChem (CID 76953165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).