N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide

C5H14N4O3S — CID 104978429

IUPACN'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide
SMILESCNS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-4(5(6)9-10)3-8-13(11,12)7-2/h4,7-8,10H,3H2,1-2H3,(H2,6,9)
InChIKeyWNEGRVMVYZNRCY-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.58
Rot. Bonds5

About N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide

N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide (PubChem CID 104978429) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide
PubChem CID104978429
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC NameN'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide
SMILESCNS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-4(5(6)9-10)3-8-13(11,12)7-2/h4,7-8,10H,3H2,1-2H3,(H2,6,9)
InChIKeyWNEGRVMVYZNRCY-UHFFFAOYSA-N
XLogP-1.58
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
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-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978432
3-[dimethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910963
3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953191
3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76953214
3-(diethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953247
N'-hydroxy-2-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76953301
N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide
CID 76953313
3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76953317
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide
CID 104978249
N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide
CID 104978251
3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104978253
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide (CID 104978429) is N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide is CNS(=O)(=O)NCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide?
The InChIKey is WNEGRVMVYZNRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-4(5(6)9-10)3-8-13(11,12)7-2/h4,7-8,10H,3H2,1-2H3,(H2,6,9).
What are the key properties of N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide has a molecular weight of 210.26 g/mol, XLogP of -1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).