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

C8H19N3O3S — CID 76910853

IUPACN'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide
SMILESCC(CN(C)CCS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-7(8(9)10-12)6-11(2)4-5-15(3,13)14/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyMLUSGHCXAVMEMT-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.65
Rot. Bonds6

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

N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide (PubChem CID 76910853) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide
PubChem CID76910853
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide
SMILESCC(CN(C)CCS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-7(8(9)10-12)6-11(2)4-5-15(3,13)14/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyMLUSGHCXAVMEMT-UHFFFAOYSA-N
XLogP-0.65
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.65
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-methyl-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-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide (CID 76910853) is N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide is CC(CN(C)CCS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide?
The InChIKey is MLUSGHCXAVMEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7(8(9)10-12)6-11(2)4-5-15(3,13)14/h7,12H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide has a molecular weight of 237.32 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanimidamide is sourced from PubChem (CID 76910853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).