3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide

C6H15N3O3S — CID 76952623

IUPAC3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-3-13(11,12)8-4-5(2)6(7)9-10/h5,8,10H,3-4H2,1-2H3,(H2,7,9)
InChIKeyYSJOSVGBCZAKPC-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.69
Rot. Bonds5

About 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide

3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76952623) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID76952623
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC Name3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-3-13(11,12)8-4-5(2)6(7)9-10/h5,8,10H,3-4H2,1-2H3,(H2,7,9)
InChIKeyYSJOSVGBCZAKPC-UHFFFAOYSA-N
XLogP-0.69
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
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-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (CID 76952623) is 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is CCS(=O)(=O)NCC(C)C(N)=NO.
What is the InChIKey of 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is YSJOSVGBCZAKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-3-13(11,12)8-4-5(2)6(7)9-10/h5,8,10H,3-4H2,1-2H3,(H2,7,9).
What are the key properties of 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 209.27 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76952623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).