5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide

C8H16N2O2S — CID 63582857

IUPAC5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCCSCC1CCC(C(=O)NN)O1
InChIInChI=1S/C8H16N2O2S/c1-2-13-5-6-3-4-7(12-6)8(11)10-9/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyJDSZNPDLJCSVGM-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.28
Rot. Bonds4

About 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide

5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide (PubChem CID 63582857) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide
PubChem CID63582857
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCCSCC1CCC(C(=O)NN)O1
InChIInChI=1S/C8H16N2O2S/c1-2-13-5-6-3-4-7(12-6)8(11)10-9/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyJDSZNPDLJCSVGM-UHFFFAOYSA-N
XLogP0.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide (CID 63582857) is 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide is CCSCC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide?
The InChIKey is JDSZNPDLJCSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-13-5-6-3-4-7(12-6)8(11)10-9/h6-7H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide?
5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide has a molecular weight of 204.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfanylmethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63582857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).