3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide

C11H16N2O2S — CID 79404719

IUPAC3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide
SMILESCC(Sc1ccccc1O)C(C)C(=O)NN
InChIInChI=1S/C11H16N2O2S/c1-7(11(15)13-12)8(2)16-10-6-4-3-5-9(10)14/h3-8,14H,12H2,1-2H3,(H,13,15)
InChIKeyAUBAYDVICQWEPJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.50
Rot. Bonds4

About 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide

3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide (PubChem CID 79404719) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide
PubChem CID79404719
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide
SMILESCC(Sc1ccccc1O)C(C)C(=O)NN
InChIInChI=1S/C11H16N2O2S/c1-7(11(15)13-12)8(2)16-10-6-4-3-5-9(10)14/h3-8,14H,12H2,1-2H3,(H,13,15)
InChIKeyAUBAYDVICQWEPJ-UHFFFAOYSA-N
XLogP1.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
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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Related Compounds

3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140
3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405899
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide
CID 79830633
2-(2-methylphenyl)sulfanylpropanehydrazide
CID 63582156
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide
CID 79405255
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62028576
3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405680
methyl (2R,3S)-2-methyl-3-phenylsulfanylbutanoate
CID 10353592
2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
CID 63581762
N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62026306

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide?
The IUPAC name of 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide (CID 79404719) is 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide.
What is the SMILES notation for 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide?
The canonical SMILES for 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide is CC(Sc1ccccc1O)C(C)C(=O)NN.
What is the InChIKey of 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide?
The InChIKey is AUBAYDVICQWEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(11(15)13-12)8(2)16-10-6-4-3-5-9(10)14/h3-8,14H,12H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide?
3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide has a molecular weight of 240.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide is sourced from PubChem (CID 79404719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).