methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate

C7H14N2O3S — CID 63580489

IUPACmethyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate
SMILESCOC(=O)CCSCCC(=O)NN
InChIInChI=1S/C7H14N2O3S/c1-12-7(11)3-5-13-4-2-6(10)9-8/h2-5,8H2,1H3,(H,9,10)
InChIKeyVWOJMCOYSRROLQ-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.34
Rot. Bonds6

About methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate

methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate (PubChem CID 63580489) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate
PubChem CID63580489
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Namemethyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate
SMILESCOC(=O)CCSCCC(=O)NN
InChIInChI=1S/C7H14N2O3S/c1-12-7(11)3-5-13-4-2-6(10)9-8/h2-5,8H2,1H3,(H,9,10)
InChIKeyVWOJMCOYSRROLQ-UHFFFAOYSA-N
XLogP-0.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 3-[3-(2-hydroxyethoxy)-3-oxopropyl]sulfanylpropanoate
CID 102005460
methyl 3-[3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]sulfanylpropanoate
CID 130272723
methyl 4-(3-methoxy-3-oxopropyl)sulfanylbutanoate
CID 43617617
methyl 3-(4-hydrazinyl-4-oxobutan-2-yl)sulfanylpropanoate
CID 63582149
methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate
CID 63582327
methyl 3-(2-isocyanoethylsulfanyl)propanoate
CID 100961877
methyl 3-octadecylsulfanylpropanoate
CID 13036424
methyl 3-aminosulfanylpropanoate;hydrochloride
CID 174517210
methyl 3-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoate
CID 61076958
methyl 3-[2-(cyclohexylamino)ethylsulfanyl]propanoate
CID 115653965
methyl 3-[2-[(3S)-3-bromobutyl]sulfanylethylsulfanyl]propanoate
CID 124652859
methyl 3-[2-[(3R)-3-bromobutyl]sulfanylethylsulfanyl]propanoate
CID 124652860

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate?
The IUPAC name of methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate (CID 63580489) is methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate.
What is the SMILES notation for methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate?
The canonical SMILES for methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate is COC(=O)CCSCCC(=O)NN.
What is the InChIKey of methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate?
The InChIKey is VWOJMCOYSRROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-12-7(11)3-5-13-4-2-6(10)9-8/h2-5,8H2,1H3,(H,9,10).
What are the key properties of methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate?
methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate has a molecular weight of 206.27 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate is sourced from PubChem (CID 63580489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).