5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide

C11H16N2O3S — CID 63574396

IUPAC5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(COCC2CCCO2)s1
InChIInChI=1S/C11H16N2O3S/c12-13-11(14)10-4-3-9(17-10)7-15-6-8-2-1-5-16-8/h3-4,8H,1-2,5-7,12H2,(H,13,14)
InChIKeySIKUMTIQRHAILO-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.05
Rot. Bonds5

About 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide

5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide (PubChem CID 63574396) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
PubChem CID63574396
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(COCC2CCCO2)s1
InChIInChI=1S/C11H16N2O3S/c12-13-11(14)10-4-3-9(17-10)7-15-6-8-2-1-5-16-8/h3-4,8H,1-2,5-7,12H2,(H,13,14)
InChIKeySIKUMTIQRHAILO-UHFFFAOYSA-N
XLogP1.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.05
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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Related Compounds

5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 63575257
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558038
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
CID 79764859
5-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481831
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
5-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481868
4,5-dibromo-N-[3-(oxolan-2-ylmethoxy)propyl]thiophene-2-carboxamide
CID 78912774

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide (CID 63574396) is 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide is NNC(=O)c1ccc(COCC2CCCO2)s1.
What is the InChIKey of 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide?
The InChIKey is SIKUMTIQRHAILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-13-11(14)10-4-3-9(17-10)7-15-6-8-2-1-5-16-8/h3-4,8H,1-2,5-7,12H2,(H,13,14).
What are the key properties of 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide?
5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide has a molecular weight of 256.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63574396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).