N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide

C10H16N4O3S — CID 76927443

IUPACN'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1cccnc1
InChIInChI=1S/C10H16N4O3S/c1-2-6-14(8-10(11)13-15)18(16,17)9-4-3-5-12-7-9/h3-5,7,15H,2,6,8H2,1H3,(H2,11,13)
InChIKeyMBNAWWGJXQWEOI-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.23
Rot. Bonds6

About N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide

N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide (PubChem CID 76927443) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
PubChem CID76927443
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1cccnc1
InChIInChI=1S/C10H16N4O3S/c1-2-6-14(8-10(11)13-15)18(16,17)9-4-3-5-12-7-9/h3-5,7,15H,2,6,8H2,1H3,(H2,11,13)
InChIKeyMBNAWWGJXQWEOI-UHFFFAOYSA-N
XLogP0.23
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide 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 N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide (CID 76927443) is N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)c1cccnc1.
What is the InChIKey of N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide?
The InChIKey is MBNAWWGJXQWEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-2-6-14(8-10(11)13-15)18(16,17)9-4-3-5-12-7-9/h3-5,7,15H,2,6,8H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide?
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide has a molecular weight of 272.33 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 76927443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).