4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide

C14H16N2O2S — CID 112596217

IUPAC4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C14H16N2O2S/c15-16-14(18)6-3-9-19-13-8-7-12(17)10-4-1-2-5-11(10)13/h1-2,4-5,7-8,17H,3,6,9,15H2,(H,16,18)
InChIKeyMLMRRNOZGHHBDH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.41
Rot. Bonds5

About 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide

4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide (PubChem CID 112596217) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide
PubChem CID112596217
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C14H16N2O2S/c15-16-14(18)6-3-9-19-13-8-7-12(17)10-4-1-2-5-11(10)13/h1-2,4-5,7-8,17H,3,6,9,15H2,(H,16,18)
InChIKeyMLMRRNOZGHHBDH-UHFFFAOYSA-N
XLogP2.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.41
H-Bond Donors ≤ 53
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-(4-hydroxynaphthalen-1-yl)sulfanylpropanehydrazide
CID 112596219
4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
CID 63581095
4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
CID 112596009
4-pyrimidin-2-ylsulfanylbutanehydrazide
CID 63581554
methyl (Z)-2-ethyl-4-(4-hydroxynaphthalen-1-yl)sulfanylbut-2-enoate
CID 115945081
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
4-[(E)-4-aminobut-2-enyl]sulfanylnaphthalen-1-ol
CID 112595981
N-(cyanomethyl)-2-(4-hydroxynaphthalen-1-yl)sulfanylacetamide
CID 112596059
4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
CID 112596118
5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid
CID 174459898

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide?
The IUPAC name of 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide (CID 112596217) is 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide.
What is the SMILES notation for 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide?
The canonical SMILES for 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide is NNC(=O)CCCSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide?
The InChIKey is MLMRRNOZGHHBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-16-14(18)6-3-9-19-13-8-7-12(17)10-4-1-2-5-11(10)13/h1-2,4-5,7-8,17H,3,6,9,15H2,(H,16,18).
What are the key properties of 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide?
4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide has a molecular weight of 276.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide is sourced from PubChem (CID 112596217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).