2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide

C14H16N2O3S — CID 103230047

IUPAC2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide
SMILESCOCC(Sc1ccc(O)c2ccccc12)C(=O)NN
InChIInChI=1S/C14H16N2O3S/c1-19-8-13(14(18)16-15)20-12-7-6-11(17)9-4-2-3-5-10(9)12/h2-7,13,17H,8,15H2,1H3,(H,16,18)
InChIKeyUNCAAGNRBVUHDC-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.64
Rot. Bonds5

About 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide

2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide (PubChem CID 103230047) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide
PubChem CID103230047
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide
SMILESCOCC(Sc1ccc(O)c2ccccc12)C(=O)NN
InChIInChI=1S/C14H16N2O3S/c1-19-8-13(14(18)16-15)20-12-7-6-11(17)9-4-2-3-5-10(9)12/h2-7,13,17H,8,15H2,1H3,(H,16,18)
InChIKeyUNCAAGNRBVUHDC-UHFFFAOYSA-N
XLogP1.64
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide?
The IUPAC name of 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide (CID 103230047) is 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide?
The canonical SMILES for 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide is COCC(Sc1ccc(O)c2ccccc12)C(=O)NN.
What is the InChIKey of 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide?
The InChIKey is UNCAAGNRBVUHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-8-13(14(18)16-15)20-12-7-6-11(17)9-4-2-3-5-10(9)12/h2-7,13,17H,8,15H2,1H3,(H,16,18).
What are the key properties of 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide?
2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide has a molecular weight of 292.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methoxypropanehydrazide is sourced from PubChem (CID 103230047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).