3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide

C9H18N2O3S — CID 107760904

IUPAC3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
SMILESCOCC(SC1CCOC1C)C(=O)NN
InChIInChI=1S/C9H18N2O3S/c1-6-7(3-4-14-6)15-8(5-13-2)9(12)11-10/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyYLAUMXWROMRHNZ-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.10
Rot. Bonds5

About 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide

3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide (PubChem CID 107760904) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
PubChem CID107760904
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
SMILESCOCC(SC1CCOC1C)C(=O)NN
InChIInChI=1S/C9H18N2O3S/c1-6-7(3-4-14-6)15-8(5-13-2)9(12)11-10/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyYLAUMXWROMRHNZ-UHFFFAOYSA-N
XLogP-0.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide?
The IUPAC name of 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide (CID 107760904) is 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide.
What is the SMILES notation for 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide?
The canonical SMILES for 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide is COCC(SC1CCOC1C)C(=O)NN.
What is the InChIKey of 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide?
The InChIKey is YLAUMXWROMRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-6-7(3-4-14-6)15-8(5-13-2)9(12)11-10/h6-8H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide?
3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide has a molecular weight of 234.32 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methyloxolan-3-yl)sulfanylpropanehydrazide is sourced from PubChem (CID 107760904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).