3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide

C13H14N2O2S — CID 112596219

IUPAC3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide
SMILESNNC(=O)CCSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H14N2O2S/c14-15-13(17)7-8-18-12-6-5-11(16)9-3-1-2-4-10(9)12/h1-6,16H,7-8,14H2,(H,15,17)
InChIKeyHGUXAKOHPRZELO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.02
Rot. Bonds4

About 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide

3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide (PubChem CID 112596219) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide
PubChem CID112596219
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide
SMILESNNC(=O)CCSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H14N2O2S/c14-15-13(17)7-8-18-12-6-5-11(16)9-3-1-2-4-10(9)12/h1-6,16H,7-8,14H2,(H,15,17)
InChIKeyHGUXAKOHPRZELO-UHFFFAOYSA-N
XLogP2.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.02
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

4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide
CID 112596217
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
CID 112596009
N-(cyanomethyl)-2-(4-hydroxynaphthalen-1-yl)sulfanylacetamide
CID 112596059
4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
CID 112596118
sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid
CID 174459898
2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide
CID 103230047
3-(4-aminophenyl)sulfanylpropanehydrazide
CID 63580911
4-[(E)-4-aminobut-2-enyl]sulfanylnaphthalen-1-ol
CID 112595981
4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol
CID 112596099
potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide
CID 112596223
4-[(6-hydrazinyl-3-pyridinyl)methylsulfanyl]naphthalen-1-ol
CID 115945406

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide?
The IUPAC name of 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide (CID 112596219) is 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide.
What is the SMILES notation for 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide?
The canonical SMILES for 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide is NNC(=O)CCSc1ccc(O)c2ccccc12.
What is the InChIKey of 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide?
The InChIKey is HGUXAKOHPRZELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-15-13(17)7-8-18-12-6-5-11(16)9-3-1-2-4-10(9)12/h1-6,16H,7-8,14H2,(H,15,17).
What are the key properties of 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide?
3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide has a molecular weight of 262.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide is sourced from PubChem (CID 112596219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).