4-ethylsulfonyl-N'-hydroxybutanimidamide

C6H14N2O3S — CID 77055434

IUPAC4-ethylsulfonyl-N'-hydroxybutanimidamide
SMILESCCS(=O)(=O)CCCC(N)=NO
InChIInChI=1S/C6H14N2O3S/c1-2-12(10,11)5-3-4-6(7)8-9/h9H,2-5H2,1H3,(H2,7,8)
InChIKeyLVPZKDRUYVYXOE-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.05
Rot. Bonds5

About 4-ethylsulfonyl-N'-hydroxybutanimidamide

4-ethylsulfonyl-N'-hydroxybutanimidamide (PubChem CID 77055434) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-ethylsulfonyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N'-hydroxybutanimidamide
PubChem CID77055434
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name4-ethylsulfonyl-N'-hydroxybutanimidamide
SMILESCCS(=O)(=O)CCCC(N)=NO
InChIInChI=1S/C6H14N2O3S/c1-2-12(10,11)5-3-4-6(7)8-9/h9H,2-5H2,1H3,(H2,7,8)
InChIKeyLVPZKDRUYVYXOE-UHFFFAOYSA-N
XLogP-0.05
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.05
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 4-ethylsulfonyl-N'-hydroxybutanimidamide?
The IUPAC name of 4-ethylsulfonyl-N'-hydroxybutanimidamide (CID 77055434) is 4-ethylsulfonyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-ethylsulfonyl-N'-hydroxybutanimidamide?
The canonical SMILES for 4-ethylsulfonyl-N'-hydroxybutanimidamide is CCS(=O)(=O)CCCC(N)=NO.
What is the InChIKey of 4-ethylsulfonyl-N'-hydroxybutanimidamide?
The InChIKey is LVPZKDRUYVYXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-2-12(10,11)5-3-4-6(7)8-9/h9H,2-5H2,1H3,(H2,7,8).
What are the key properties of 4-ethylsulfonyl-N'-hydroxybutanimidamide?
4-ethylsulfonyl-N'-hydroxybutanimidamide has a molecular weight of 194.26 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 77055434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).