2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide

C10H23N3O3S — CID 77017208

IUPAC2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide
SMILESCCC(CC)(NS(=O)(=O)C(C)(C)C)C(N)=NO
InChIInChI=1S/C10H23N3O3S/c1-6-10(7-2,8(11)12-14)13-17(15,16)9(3,4)5/h13-14H,6-7H2,1-5H3,(H2,11,12)
InChIKeyXCUJRKFYALCASX-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.01
Rot. Bonds5

About 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide

2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide (PubChem CID 77017208) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide
PubChem CID77017208
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide
SMILESCCC(CC)(NS(=O)(=O)C(C)(C)C)C(N)=NO
InChIInChI=1S/C10H23N3O3S/c1-6-10(7-2,8(11)12-14)13-17(15,16)9(3,4)5/h13-14H,6-7H2,1-5H3,(H2,11,12)
InChIKeyXCUJRKFYALCASX-UHFFFAOYSA-N
XLogP1.01
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.01
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'}

Analyze 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide (CID 77017208) is 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide is CCC(CC)(NS(=O)(=O)C(C)(C)C)C(N)=NO.
What is the InChIKey of 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide?
The InChIKey is XCUJRKFYALCASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-6-10(7-2,8(11)12-14)13-17(15,16)9(3,4)5/h13-14H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide?
2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide has a molecular weight of 265.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-2-ethyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 77017208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).