5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide

C9H18N2O3S — CID 63580661

IUPAC5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCOCCSCC1CCC(C(=O)NN)O1
InChIInChI=1S/C9H18N2O3S/c1-13-4-5-15-6-7-2-3-8(14-7)9(12)11-10/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyGPKQMMXMKDBDIS-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.10
Rot. Bonds6

About 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide

5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide (PubChem CID 63580661) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide
PubChem CID63580661
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCOCCSCC1CCC(C(=O)NN)O1
InChIInChI=1S/C9H18N2O3S/c1-13-4-5-15-6-7-2-3-8(14-7)9(12)11-10/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyGPKQMMXMKDBDIS-UHFFFAOYSA-N
XLogP-0.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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': 'Aliphatic_long_chain', '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 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide (CID 63580661) is 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide is COCCSCC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide?
The InChIKey is GPKQMMXMKDBDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-13-4-5-15-6-7-2-3-8(14-7)9(12)11-10/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide?
5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide has a molecular weight of 234.32 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfanylmethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63580661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).