2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide

C6H16N4O3S — CID 76928290

IUPAC2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H16N4O3S/c1-5(6(7)8-11)10(4)14(12,13)9(2)3/h5,11H,1-4H3,(H2,7,8)
InChIKeyQPIDNMIYCDGWFD-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.14
Rot. Bonds4

About 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide

2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76928290) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID76928290
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC Name2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H16N4O3S/c1-5(6(7)8-11)10(4)14(12,13)9(2)3/h5,11H,1-4H3,(H2,7,8)
InChIKeyQPIDNMIYCDGWFD-UHFFFAOYSA-N
XLogP-1.14
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.14
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
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
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
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202949
N'-hydroxy-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453563
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide (CID 76928290) is 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is QPIDNMIYCDGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-5(6(7)8-11)10(4)14(12,13)9(2)3/h5,11H,1-4H3,(H2,7,8).
What are the key properties of 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76928290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).