2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide

C10H20N4O3S — CID 77038257

IUPAC2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C10H20N4O3S/c11-10(12-15)9(8-4-5-8)13-18(16,17)14-6-2-1-3-7-14/h8-9,13,15H,1-7H2,(H2,11,12)
InChIKeyLQOBNXGCKIYDLF-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.17
Rot. Bonds5

About 2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide (PubChem CID 77038257) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide
PubChem CID77038257
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C10H20N4O3S/c11-10(12-15)9(8-4-5-8)13-18(16,17)14-6-2-1-3-7-14/h8-9,13,15H,1-7H2,(H2,11,12)
InChIKeyLQOBNXGCKIYDLF-UHFFFAOYSA-N
XLogP-0.17
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.17
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-(piperidin-1-ylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide (CID 77038257) is 2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide is NC(=NO)C(NS(=O)(=O)N1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide?
The InChIKey is LQOBNXGCKIYDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c11-10(12-15)9(8-4-5-8)13-18(16,17)14-6-2-1-3-7-14/h8-9,13,15H,1-7H2,(H2,11,12).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide has a molecular weight of 276.36 g/mol, XLogP of -0.17, 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-(piperidin-1-ylsulfonylamino)ethanimidamide is sourced from PubChem (CID 77038257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).