N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide

C9H19N3O4S — CID 55174703

IUPACN'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide
SMILESCC(CNS(=O)(=O)CC1CCCO1)/C(N)=N/O
InChIInChI=1S/C9H19N3O4S/c1-7(9(10)12-13)5-11-17(14,15)6-8-3-2-4-16-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyVULLSDWJJIGYOQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.53
Rot. Bonds6

About N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide

N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide (PubChem CID 55174703) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide
PubChem CID55174703
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC NameN'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide
SMILESCC(CNS(=O)(=O)CC1CCCO1)/C(N)=N/O
InChIInChI=1S/C9H19N3O4S/c1-7(9(10)12-13)5-11-17(14,15)6-8-3-2-4-16-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyVULLSDWJJIGYOQ-UHFFFAOYSA-N
XLogP-0.53
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
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-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide 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-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide (CID 55174703) is N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide is CC(CNS(=O)(=O)CC1CCCO1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide?
The InChIKey is VULLSDWJJIGYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-7(9(10)12-13)5-11-17(14,15)6-8-3-2-4-16-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide has a molecular weight of 265.33 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfonylamino)propanimidamide is sourced from PubChem (CID 55174703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).