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

C7H15N3OS — CID 43296704

IUPACN'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide
SMILESCN(C/C(N)=N/O)C1CCSC1
InChIInChI=1S/C7H15N3OS/c1-10(4-7(8)9-11)6-2-3-12-5-6/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyLIPRBBZLIBKMTL-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.17
Rot. Bonds3

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

N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide (PubChem CID 43296704) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide
PubChem CID43296704
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC NameN'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide
SMILESCN(C/C(N)=N/O)C1CCSC1
InChIInChI=1S/C7H15N3OS/c1-10(4-7(8)9-11)6-2-3-12-5-6/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyLIPRBBZLIBKMTL-UHFFFAOYSA-N
XLogP0.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide (CID 43296704) is N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide is CN(C/C(N)=N/O)C1CCSC1.
What is the InChIKey of N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide?
The InChIKey is LIPRBBZLIBKMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-10(4-7(8)9-11)6-2-3-12-5-6/h6,11H,2-5H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide has a molecular weight of 189.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(thiolan-3-yl)amino]ethanimidamide is sourced from PubChem (CID 43296704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).