hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate

C10H15N3O3S — CID 79511407

IUPAChydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
SMILESCOc1ccc(N)c(SCCC(=O)ONN)c1
InChIInChI=1S/C10H15N3O3S/c1-15-7-2-3-8(11)9(6-7)17-5-4-10(14)16-13-12/h2-3,6,13H,4-5,11-12H2,1H3
InChIKeyUWNRTGLWBHNZCY-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.68
Rot. Bonds6

About hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate

hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate (PubChem CID 79511407) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
PubChem CID79511407
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Namehydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
SMILESCOc1ccc(N)c(SCCC(=O)ONN)c1
InChIInChI=1S/C10H15N3O3S/c1-15-7-2-3-8(11)9(6-7)17-5-4-10(14)16-13-12/h2-3,6,13H,4-5,11-12H2,1H3
InChIKeyUWNRTGLWBHNZCY-UHFFFAOYSA-N
XLogP0.68
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide
CID 79518808
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
CID 107703997
ethyl 3-(2-amino-5-fluorophenyl)sulfanylpropanoate
CID 79147797
3-(2-amino-5-methoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630325
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
methyl 5-[(2-amino-5-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carboxylate
CID 79512980
hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 66337335
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate?
The IUPAC name of hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate (CID 79511407) is hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate.
What is the SMILES notation for hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate?
The canonical SMILES for hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate is COc1ccc(N)c(SCCC(=O)ONN)c1.
What is the InChIKey of hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate?
The InChIKey is UWNRTGLWBHNZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-15-7-2-3-8(11)9(6-7)17-5-4-10(14)16-13-12/h2-3,6,13H,4-5,11-12H2,1H3.
What are the key properties of hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate?
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate has a molecular weight of 257.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate is sourced from PubChem (CID 79511407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).