4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide

C13H21N3O2S — CID 79512196

IUPAC4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
SMILESCCOc1ccc(N)c(SC(C)CCC(=O)NN)c1
InChIInChI=1S/C13H21N3O2S/c1-3-18-10-5-6-11(14)12(8-10)19-9(2)4-7-13(17)16-15/h5-6,8-9H,3-4,7,14-15H2,1-2H3,(H,16,17)
InChIKeyZBXMXKNHGXIRIL-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.92
Rot. Bonds7

About 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide

4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide (PubChem CID 79512196) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
PubChem CID79512196
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
SMILESCCOc1ccc(N)c(SC(C)CCC(=O)NN)c1
InChIInChI=1S/C13H21N3O2S/c1-3-18-10-5-6-11(14)12(8-10)19-9(2)4-7-13(17)16-15/h5-6,8-9H,3-4,7,14-15H2,1-2H3,(H,16,17)
InChIKeyZBXMXKNHGXIRIL-UHFFFAOYSA-N
XLogP1.92
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 79518904
4-(2-amino-4-bromophenyl)sulfanylpentanehydrazide
CID 63590454
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 79518987
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830
4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide
CID 63582635
4-ethoxy-2-(trifluoromethylsulfanyl)aniline
CID 79526639
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
1-(2-amino-5-ethoxyphenyl)butan-1-one
CID 83987893

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide?
The IUPAC name of 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide (CID 79512196) is 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide?
The canonical SMILES for 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide is CCOc1ccc(N)c(SC(C)CCC(=O)NN)c1.
What is the InChIKey of 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide?
The InChIKey is ZBXMXKNHGXIRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-18-10-5-6-11(14)12(8-10)19-9(2)4-7-13(17)16-15/h5-6,8-9H,3-4,7,14-15H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide?
4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide has a molecular weight of 283.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 79512196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).