3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C9H22N4O3S — CID 76917246

IUPAC3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)N(C)C
InChIInChI=1S/C9H22N4O3S/c1-8(2)7-13(6-5-9(10)11-14)17(15,16)12(3)4/h8,14H,5-7H2,1-4H3,(H2,10,11)
InChIKeyDQDVTHZIQQVTCK-UHFFFAOYSA-N
MW266.37 g/mol
LogP-0.11
Rot. Bonds7

About 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76917246) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID76917246
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)N(C)C
InChIInChI=1S/C9H22N4O3S/c1-8(2)7-13(6-5-9(10)11-14)17(15,16)12(3)4/h8,14H,5-7H2,1-4H3,(H2,10,11)
InChIKeyDQDVTHZIQQVTCK-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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Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 76917246) is 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CCC(N)=NO)S(=O)(=O)N(C)C.
What is the InChIKey of 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is DQDVTHZIQQVTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-8(2)7-13(6-5-9(10)11-14)17(15,16)12(3)4/h8,14H,5-7H2,1-4H3,(H2,10,11).
What are the key properties of 3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide 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-[dimethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76917246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).