3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

C7H17N3O3S — CID 104873853

IUPAC3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C7H17N3O3S/c1-4-14(12,13)9-5-7(2,3)6(8)10-11/h9,11H,4-5H2,1-3H3,(H2,8,10)
InChIKeyJTKUJAYBDUKZQH-UHFFFAOYSA-N
MW223.30 g/mol
LogP-0.30
Rot. Bonds5

About 3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (PubChem CID 104873853) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
PubChem CID104873853
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C7H17N3O3S/c1-4-14(12,13)9-5-7(2,3)6(8)10-11/h9,11H,4-5H2,1-3H3,(H2,8,10)
InChIKeyJTKUJAYBDUKZQH-UHFFFAOYSA-N
XLogP-0.30
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-0.30
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-2,2-dimethylpropanimidamide?
The IUPAC name of 3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (CID 104873853) is 3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is CCS(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of 3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The InChIKey is JTKUJAYBDUKZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-4-14(12,13)9-5-7(2,3)6(8)10-11/h9,11H,4-5H2,1-3H3,(H2,8,10).
What are the key properties of 3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide has a molecular weight of 223.30 g/mol, XLogP of -0.30, 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-2,2-dimethylpropanimidamide is sourced from PubChem (CID 104873853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).