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

C9H19N3OS — CID 43296699

IUPACN'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide
SMILESCC(CN(C)C1CCSC1)/C(N)=N/O
InChIInChI=1S/C9H19N3OS/c1-7(9(10)11-13)5-12(2)8-3-4-14-6-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyNJCZLOVXNJUCND-UHFFFAOYSA-N
MW217.34 g/mol
LogP0.81
Rot. Bonds4

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

N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide (PubChem CID 43296699) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide
PubChem CID43296699
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide
SMILESCC(CN(C)C1CCSC1)/C(N)=N/O
InChIInChI=1S/C9H19N3OS/c1-7(9(10)11-13)5-12(2)8-3-4-14-6-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyNJCZLOVXNJUCND-UHFFFAOYSA-N
XLogP0.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.81
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'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(thiolan-3-yl)amino]methyl]propanimidamide
CID 103369255
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]propanimidamide
CID 103370113
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]propanimidamide
CID 103370114
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(4-methylsulfanylbutan-2-yl)amino]methyl]propanimidamide
CID 103370214
N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide
CID 43296698
N'-hydroxy-4-[methyl(thiolan-3-yl)amino]butanimidamide
CID 43296702
N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide
CID 43296703
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide
CID 43296704
2-Methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide
CID 43296744
3-[Methyl(thiolan-3-yl)amino]propanimidamide
CID 43296748
N'-hydroxy-2-methyl-3-thiomorpholin-4-ylpropanimidamide
CID 43367985
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypropanimidamide
CID 43648777

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide (CID 43296699) is N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide is CC(CN(C)C1CCSC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide?
The InChIKey is NJCZLOVXNJUCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-7(9(10)11-13)5-12(2)8-3-4-14-6-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide has a molecular weight of 217.34 g/mol, XLogP of 0.81, 4 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(thiolan-3-yl)amino]propanimidamide is sourced from PubChem (CID 43296699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).