2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide

C8H17N3O3S — CID 77038419

IUPAC2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide
SMILESCC(C)S(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C8H17N3O3S/c1-5(2)15(13,14)11-7(6-3-4-6)8(9)10-12/h5-7,11-12H,3-4H2,1-2H3,(H2,9,10)
InChIKeyQNIVWFHTBGGABR-UHFFFAOYSA-N
MW235.31 g/mol
LogP-0.16
Rot. Bonds5

About 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide (PubChem CID 77038419) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide
PubChem CID77038419
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide
SMILESCC(C)S(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C8H17N3O3S/c1-5(2)15(13,14)11-7(6-3-4-6)8(9)10-12/h5-7,11-12H,3-4H2,1-2H3,(H2,9,10)
InChIKeyQNIVWFHTBGGABR-UHFFFAOYSA-N
XLogP-0.16
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.16
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide (CID 77038419) is 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide is CC(C)S(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide?
The InChIKey is QNIVWFHTBGGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-5(2)15(13,14)11-7(6-3-4-6)8(9)10-12/h5-7,11-12H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide has a molecular weight of 235.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide is sourced from PubChem (CID 77038419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).