5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide

C9H18N2O2S — CID 63581975

IUPAC5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCC(C)SCC1CCC(C(=O)NN)O1
InChIInChI=1S/C9H18N2O2S/c1-6(2)14-5-7-3-4-8(13-7)9(12)11-10/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyJQBCCCDEWWVKGR-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.67
Rot. Bonds4

About 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide

5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide (PubChem CID 63581975) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
PubChem CID63581975
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESCC(C)SCC1CCC(C(=O)NN)O1
InChIInChI=1S/C9H18N2O2S/c1-6(2)14-5-7-3-4-8(13-7)9(12)11-10/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyJQBCCCDEWWVKGR-UHFFFAOYSA-N
XLogP0.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.67
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-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide (CID 63581975) is 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide is CC(C)SCC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The InChIKey is JQBCCCDEWWVKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-6(2)14-5-7-3-4-8(13-7)9(12)11-10/h6-8H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide has a molecular weight of 218.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfanylmethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63581975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).