2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide

C7H18N4O3S — CID 77044627

IUPAC2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)N(C)C
InChIInChI=1S/C7H18N4O3S/c1-6(2)11(5-7(8)9-12)15(13,14)10(3)4/h6,12H,5H2,1-4H3,(H2,8,9)
InChIKeyNNXQVGQZDSPIKQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.75
Rot. Bonds5

About 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide

2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 77044627) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
PubChem CID77044627
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC Name2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)N(C)C
InChIInChI=1S/C7H18N4O3S/c1-6(2)11(5-7(8)9-12)15(13,14)10(3)4/h6,12H,5H2,1-4H3,(H2,8,9)
InChIKeyNNXQVGQZDSPIKQ-UHFFFAOYSA-N
XLogP-0.75
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.75
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 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide (CID 77044627) is 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide is CC(C)N(CC(N)=NO)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is NNXQVGQZDSPIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-6(2)11(5-7(8)9-12)15(13,14)10(3)4/h6,12H,5H2,1-4H3,(H2,8,9).
What are the key properties of 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).