N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide

C8H12N2O2S — CID 107780325

IUPACN'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
SMILESCc1occc1SCC/C(N)=N/O
InChIInChI=1S/C8H12N2O2S/c1-6-7(2-4-12-6)13-5-3-8(9)10-11/h2,4,11H,3,5H2,1H3,(H2,9,10)
InChIKeyZSPUVHPELWXWKU-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.82
Rot. Bonds4

About N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide

N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide (PubChem CID 107780325) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
PubChem CID107780325
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
SMILESCc1occc1SCC/C(N)=N/O
InChIInChI=1S/C8H12N2O2S/c1-6-7(2-4-12-6)13-5-3-8(9)10-11/h2,4,11H,3,5H2,1H3,(H2,9,10)
InChIKeyZSPUVHPELWXWKU-UHFFFAOYSA-N
XLogP1.82
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.82
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-3-(2-methylfuran-3-yl)sulfanylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide (CID 107780325) is N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide is Cc1occc1SCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide?
The InChIKey is ZSPUVHPELWXWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-7(2-4-12-6)13-5-3-8(9)10-11/h2,4,11H,3,5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide?
N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide has a molecular weight of 200.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide is sourced from PubChem (CID 107780325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).