N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide

C8H19N3O3S — CID 76917335

IUPACN'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C8H19N3O3S/c1-7(2)6-11(15(3,13)14)5-4-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyWJNBPNUPTDYKTO-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.04
Rot. Bonds6

About N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide

N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide (PubChem CID 76917335) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
PubChem CID76917335
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C8H19N3O3S/c1-7(2)6-11(15(3,13)14)5-4-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyWJNBPNUPTDYKTO-UHFFFAOYSA-N
XLogP0.04
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.04
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

3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978377
3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 106468313
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-methylsulfonylacetamide
CID 77015110
N'-hydroxy-3-[2-methylpropyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanimidamide
CID 103415668
3-[(3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917370
N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
CID 77008670
3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 103100639
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide (CID 76917335) is N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide is CC(C)CN(CCC(N)=NO)S(C)(=O)=O.
What is the InChIKey of N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide?
The InChIKey is WJNBPNUPTDYKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7(2)6-11(15(3,13)14)5-4-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide has a molecular weight of 237.32 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 76917335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).