N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide

C7H17N3O5S2 — CID 63242751

IUPACN'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide
SMILESCC(C)(NS(=O)(=O)CCS(C)(=O)=O)/C(N)=N/O
InChIInChI=1S/C7H17N3O5S2/c1-7(2,6(8)9-11)10-17(14,15)5-4-16(3,12)13/h10-11H,4-5H2,1-3H3,(H2,8,9)
InChIKeyGMSAGQDCAYTAQD-UHFFFAOYSA-N
MW287.36 g/mol
LogP-1.52
Rot. Bonds6

About N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide

N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide (PubChem CID 63242751) has the molecular formula C7H17N3O5S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide
PubChem CID63242751
Molecular FormulaC7H17N3O5S2
Molecular Weight287.36 g/mol
Exact Mass287.06
IUPAC NameN'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide
SMILESCC(C)(NS(=O)(=O)CCS(C)(=O)=O)/C(N)=N/O
InChIInChI=1S/C7H17N3O5S2/c1-7(2,6(8)9-11)10-17(14,15)5-4-16(3,12)13/h10-11H,4-5H2,1-3H3,(H2,8,9)
InChIKeyGMSAGQDCAYTAQD-UHFFFAOYSA-N
XLogP-1.52
TPSA138.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-2-(2-methylsulfonylethylsulfonylamino)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-2-(2-methylsulfonylethylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide (CID 63242751) is N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide is CC(C)(NS(=O)(=O)CCS(C)(=O)=O)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide?
The InChIKey is GMSAGQDCAYTAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O5S2/c1-7(2,6(8)9-11)10-17(14,15)5-4-16(3,12)13/h10-11H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide?
N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide has a molecular weight of 287.36 g/mol, XLogP of -1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)propanimidamide is sourced from PubChem (CID 63242751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).