3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

C9H22N4O3S — CID 54991646

IUPAC3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC)S(=O)(=O)N(C)CC(C)/C(N)=N/O
InChIInChI=1S/C9H22N4O3S/c1-5-13(6-2)17(15,16)12(4)7-8(3)9(10)11-14/h8,14H,5-7H2,1-4H3,(H2,10,11)
InChIKeyXKAFBRWQPWLNHX-UHFFFAOYSA-N
MW266.37 g/mol
LogP-0.11
Rot. Bonds7

About 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54991646) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54991646
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC)S(=O)(=O)N(C)CC(C)/C(N)=N/O
InChIInChI=1S/C9H22N4O3S/c1-5-13(6-2)17(15,16)12(4)7-8(3)9(10)11-14/h8,14H,5-7H2,1-4H3,(H2,10,11)
InChIKeyXKAFBRWQPWLNHX-UHFFFAOYSA-N
XLogP-0.11
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-0.11
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-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104978350
N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978380
3-[diethylsulfamoyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988474
3-[ethyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988521
3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988569
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988818
N'-hydroxy-2-methyl-3-[methyl(piperidin-1-ylsulfonyl)amino]propanimidamide
CID 54991647
N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
CID 54991745
3-[azepan-1-ylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54991843
N'-hydroxy-2-methyl-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 54991892
3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 54992418
3-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54992758

Frequently Asked Questions

What is the IUPAC name of 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 54991646) is 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC)S(=O)(=O)N(C)CC(C)/C(N)=N/O.
What is the InChIKey of 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is XKAFBRWQPWLNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-5-13(6-2)17(15,16)12(4)7-8(3)9(10)11-14/h8,14H,5-7H2,1-4H3,(H2,10,11).
What are the key properties of 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 266.37 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54991646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).