4-(ethylsulfonylamino)-N'-hydroxybutanimidamide

C6H15N3O3S — CID 76952930

IUPAC4-(ethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESCCS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-2-13(11,12)8-5-3-4-6(7)9-10/h8,10H,2-5H2,1H3,(H2,7,9)
InChIKeySCEJYSBESJGYPP-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.55
Rot. Bonds6

About 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide

4-(ethylsulfonylamino)-N'-hydroxybutanimidamide (PubChem CID 76952930) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N'-hydroxybutanimidamide
PubChem CID76952930
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC Name4-(ethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESCCS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-2-13(11,12)8-5-3-4-6(7)9-10/h8,10H,2-5H2,1H3,(H2,7,9)
InChIKeySCEJYSBESJGYPP-UHFFFAOYSA-N
XLogP-0.55
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(ethylsulfonylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide (CID 76952930) is 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide is CCS(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide?
The InChIKey is SCEJYSBESJGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-2-13(11,12)8-5-3-4-6(7)9-10/h8,10H,2-5H2,1H3,(H2,7,9).
What are the key properties of 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide?
4-(ethylsulfonylamino)-N'-hydroxybutanimidamide has a molecular weight of 209.27 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76952930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).