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

C8H20N4O3S — CID 76928171

IUPACN'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
SMILESCC(C)N(C)S(=O)(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-6(2)11(4)16(14,15)12(5)7(3)8(9)10-13/h6-7,13H,1-5H3,(H2,9,10)
InChIKeyGPQAPWMMLFACCB-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.36
Rot. Bonds5

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

N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide (PubChem CID 76928171) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
PubChem CID76928171
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC NameN'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
SMILESCC(C)N(C)S(=O)(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-6(2)11(4)16(14,15)12(5)7(3)8(9)10-13/h6-7,13H,1-5H3,(H2,9,10)
InChIKeyGPQAPWMMLFACCB-UHFFFAOYSA-N
XLogP-0.36
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
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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Related Compounds

N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 113637624
2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide
CID 142703992
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988818
N'-hydroxy-2-methyl-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 54991892
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-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanimidamide
CID 54996963
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
3-[cyclopropyl(diethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 54997598
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202949

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide (CID 76928171) is N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide is CC(C)N(C)S(=O)(=O)N(C)C(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide?
The InChIKey is GPQAPWMMLFACCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-6(2)11(4)16(14,15)12(5)7(3)8(9)10-13/h6-7,13H,1-5H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide?
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide is sourced from PubChem (CID 76928171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).