3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide

C9H19N3O2S — CID 118615527

IUPAC3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide
SMILESCC(C)(C)S(=O)NC1CC(/C(N)=N/O)C1
InChIInChI=1S/C9H19N3O2S/c1-9(2,3)15(14)12-7-4-6(5-7)8(10)11-13/h6-7,12-13H,4-5H2,1-3H3,(H2,10,11)
InChIKeyZHMAXFKJBJITEY-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.56
Rot. Bonds3

About 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide

3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide (PubChem CID 118615527) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide.

Molecular Properties

Compound Name3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide
PubChem CID118615527
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide
SMILESCC(C)(C)S(=O)NC1CC(/C(N)=N/O)C1
InChIInChI=1S/C9H19N3O2S/c1-9(2,3)15(14)12-7-4-6(5-7)8(10)11-13/h6-7,12-13H,4-5H2,1-3H3,(H2,10,11)
InChIKeyZHMAXFKJBJITEY-UHFFFAOYSA-N
XLogP0.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide 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 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide?
The IUPAC name of 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide (CID 118615527) is 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide.
What is the SMILES notation for 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide?
The canonical SMILES for 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide is CC(C)(C)S(=O)NC1CC(/C(N)=N/O)C1.
What is the InChIKey of 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide?
The InChIKey is ZHMAXFKJBJITEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-9(2,3)15(14)12-7-4-6(5-7)8(10)11-13/h6-7,12-13H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide?
3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide has a molecular weight of 233.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide is sourced from PubChem (CID 118615527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).