hydrazinyl 3-ethylsulfanylpropanoate

C5H12N2O2S — CID 66337704

IUPAChydrazinyl 3-ethylsulfanylpropanoate
SMILESCCSCCC(=O)ONN
InChIInChI=1S/C5H12N2O2S/c1-2-10-4-3-5(8)9-7-6/h7H,2-4,6H2,1H3
InChIKeyIFDCKRQODZGTSX-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.05
Rot. Bonds5

About hydrazinyl 3-ethylsulfanylpropanoate

hydrazinyl 3-ethylsulfanylpropanoate (PubChem CID 66337704) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is hydrazinyl 3-ethylsulfanylpropanoate.

Molecular Properties

Compound Namehydrazinyl 3-ethylsulfanylpropanoate
PubChem CID66337704
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Namehydrazinyl 3-ethylsulfanylpropanoate
SMILESCCSCCC(=O)ONN
InChIInChI=1S/C5H12N2O2S/c1-2-10-4-3-5(8)9-7-6/h7H,2-4,6H2,1H3
InChIKeyIFDCKRQODZGTSX-UHFFFAOYSA-N
XLogP0.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

hydrazinyl 3-(3-aminobutylsulfanyl)propanoate
CID 66336784
[3-(3-ethylsulfanylpropanoyloxy)-2,2-bis(3-ethylsulfanylpropanoyloxymethyl)propyl] 3-ethylsulfanylpropanoate
CID 166909873
hydrazinyl 3-butan-2-ylsulfanylpropanoate
CID 66337707
hydrazinyl butanoate;hydrochloride
CID 87356625
ethyl 6-ethylsulfanyl-4-oxohexanoate
CID 116504877
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681
hydrazinyl 3-(2-ethoxyethoxy)propanoate
CID 66338748
methyl 5-(3-ethylsulfanylpropanoyloxymethyl)-3-methylfuran-2-carboxylate
CID 56806325
4-ethylsulfanylbutanehydrazide
CID 63581929
2-(hydroxymethylsulfanylmethylsulfanyl)ethyl 3-(ethylsulfanylmethylsulfanylmethylsulfanyl)propanoate
CID 58670640
hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
CID 66339650
methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate
CID 63580489

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-ethylsulfanylpropanoate?
The IUPAC name of hydrazinyl 3-ethylsulfanylpropanoate (CID 66337704) is hydrazinyl 3-ethylsulfanylpropanoate.
What is the SMILES notation for hydrazinyl 3-ethylsulfanylpropanoate?
The canonical SMILES for hydrazinyl 3-ethylsulfanylpropanoate is CCSCCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-ethylsulfanylpropanoate?
The InChIKey is IFDCKRQODZGTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-10-4-3-5(8)9-7-6/h7H,2-4,6H2,1H3.
What are the key properties of hydrazinyl 3-ethylsulfanylpropanoate?
hydrazinyl 3-ethylsulfanylpropanoate has a molecular weight of 164.23 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-ethylsulfanylpropanoate is sourced from PubChem (CID 66337704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).