3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide

C14H22N2O2S — CID 107760958

IUPAC3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
SMILESCC(C)C(C)SCCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H22N2O2S/c1-10(2)11(3)19-8-7-18-13-6-4-5-12(9-13)14(17)16-15/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyOCRXTQRHUVIFAN-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.45
Rot. Bonds7

About 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide

3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide (PubChem CID 107760958) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
PubChem CID107760958
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
SMILESCC(C)C(C)SCCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H22N2O2S/c1-10(2)11(3)19-8-7-18-13-6-4-5-12(9-13)14(17)16-15/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyOCRXTQRHUVIFAN-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[2-(3-amino-2-methylpropyl)sulfanylethoxy]benzohydrazide
CID 66224722
3-pentoxybenzohydrazide
CID 54793157
3-heptoxybenzohydrazide
CID 54793165
3-hexoxybenzohydrazide
CID 54793158
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572520
3-[2-[methyl(pentan-3-yl)amino]ethoxy]benzohydrazide
CID 63571617
3-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzohydrazide
CID 63590298
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585
3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide
CID 63583349
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide?
The IUPAC name of 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide (CID 107760958) is 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide is CC(C)C(C)SCCOc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide?
The InChIKey is OCRXTQRHUVIFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)11(3)19-8-7-18-13-6-4-5-12(9-13)14(17)16-15/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide?
3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide has a molecular weight of 282.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide is sourced from PubChem (CID 107760958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).