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

C8H17N3OS — CID 43296703

IUPACN'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)C1CCSC1
InChIInChI=1S/C8H17N3OS/c1-11(4-2-8(9)10-12)7-3-5-13-6-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyKUIUPQMQALATTD-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds4

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

N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide (PubChem CID 43296703) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide
PubChem CID43296703
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)C1CCSC1
InChIInChI=1S/C8H17N3OS/c1-11(4-2-8(9)10-12)7-3-5-13-6-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyKUIUPQMQALATTD-UHFFFAOYSA-N
XLogP0.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
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-3-[methyl(thiolan-3-yl)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(thiolan-3-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide (CID 43296703) is N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide is CN(CC/C(N)=N/O)C1CCSC1.
What is the InChIKey of N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide?
The InChIKey is KUIUPQMQALATTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-11(4-2-8(9)10-12)7-3-5-13-6-7/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide?
N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide has a molecular weight of 203.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(thiolan-3-yl)amino]propanimidamide is sourced from PubChem (CID 43296703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).