N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide

C7H17N3O3S — CID 61058307

IUPACN'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)CCS(C)(=O)=O
InChIInChI=1S/C7H17N3O3S/c1-10(4-3-7(8)9-11)5-6-14(2,12)13/h11H,3-6H2,1-2H3,(H2,8,9)
InChIKeyZCBVFBNOBKNCPZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP-0.90
Rot. Bonds6

About N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide

N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide (PubChem CID 61058307) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide
PubChem CID61058307
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC NameN'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)CCS(C)(=O)=O
InChIInChI=1S/C7H17N3O3S/c1-10(4-3-7(8)9-11)5-6-14(2,12)13/h11H,3-6H2,1-2H3,(H2,8,9)
InChIKeyZCBVFBNOBKNCPZ-UHFFFAOYSA-N
XLogP-0.90
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-0.90
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-3-[methyl(2-methylsulfonylethyl)amino]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-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide (CID 61058307) is N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide is CN(CC/C(N)=N/O)CCS(C)(=O)=O.
What is the InChIKey of N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide?
The InChIKey is ZCBVFBNOBKNCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-10(4-3-7(8)9-11)5-6-14(2,12)13/h11H,3-6H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide has a molecular weight of 223.30 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide is sourced from PubChem (CID 61058307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).