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

C8H19N3OS — CID 103954998

IUPACN'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
SMILESCSCCN(C)CC(C)C(N)=NO
InChIInChI=1S/C8H19N3OS/c1-7(8(9)10-12)6-11(2)4-5-13-3/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyNFJYBMIWDLXJBI-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.66
Rot. Bonds6

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

N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide (PubChem CID 103954998) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
PubChem CID103954998
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
SMILESCSCCN(C)CC(C)C(N)=NO
InChIInChI=1S/C8H19N3OS/c1-7(8(9)10-12)6-11(2)4-5-13-3/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyNFJYBMIWDLXJBI-UHFFFAOYSA-N
XLogP0.66
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylsulfanylethyl)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

Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylsulfanylethyl)amino]methyl]propanimidamide
CID 103370112
N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
CID 43272171
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844
2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoic acid
CID 112661463
3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481
N'-hydroxy-2-methyl-3-[methyl(2-phenoxyethyl)amino]propanimidamide
CID 76914446
N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
CID 77057994
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
CID 112706126
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
N'-hydroxy-3-[(4-iodophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 77070215
benzyl 2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
CID 106484387

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide (CID 103954998) is N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide is CSCCN(C)CC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide?
The InChIKey is NFJYBMIWDLXJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-7(8(9)10-12)6-11(2)4-5-13-3/h7,12H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide has a molecular weight of 205.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide is sourced from PubChem (CID 103954998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).