2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide

C9H19N3O3S — CID 77038500

IUPAC2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
SMILESCC(C)(C)S(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C9H19N3O3S/c1-9(2,3)16(14,15)12-7(6-4-5-6)8(10)11-13/h6-7,12-13H,4-5H2,1-3H3,(H2,10,11)
InChIKeyQPXIQDBNMZXEDU-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.23
Rot. Bonds4

About 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide

2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide (PubChem CID 77038500) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
PubChem CID77038500
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
SMILESCC(C)(C)S(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C9H19N3O3S/c1-9(2,3)16(14,15)12-7(6-4-5-6)8(10)11-13/h6-7,12-13H,4-5H2,1-3H3,(H2,10,11)
InChIKeyQPXIQDBNMZXEDU-UHFFFAOYSA-N
XLogP0.23
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.23
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-cyclopropyl-N'-hydroxyethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83058807
3-(tert-butylsulfinylamino)-N'-hydroxycyclobutane-1-carboximidamide
CID 118615527
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 55233415
2-(3-Methylbutylsulfonylamino)pentanimidamide
CID 64405534
2-(Tert-butylsulfonylamino)pentanimidamide
CID 64406764
2-(Tert-butylsulfonylamino)-2-cyclopropylethanimidamide
CID 64426815
2-(Butylsulfonylamino)-2-cyclopropylethanimidamide
CID 64426821
2-(Tert-butylsulfonylamino)-3-methylbutanimidamide
CID 64427177
2-Cyclopropyl-2-(propan-2-ylsulfonylamino)ethanimidamide
CID 64427187
2-Cyclopropyl-2-(3-methylbutylsulfonylamino)ethanimidamide
CID 64427189
2-Cyclopropyl-2-(propylsulfonylamino)ethanimidamide
CID 64427381
2-Cyclopropyl-2-(ethylsulfonylamino)ethanimidamide
CID 64427382

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide (CID 77038500) is 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide is CC(C)(C)S(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide?
The InChIKey is QPXIQDBNMZXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-9(2,3)16(14,15)12-7(6-4-5-6)8(10)11-13/h6-7,12-13H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide?
2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide has a molecular weight of 249.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 77038500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).