methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate

C10H15N3O2S — CID 62464712

IUPACmethyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate
SMILESCOC(=O)CCSCc1ccnc(NN)c1
InChIInChI=1S/C10H15N3O2S/c1-15-10(14)3-5-16-7-8-2-4-12-9(6-8)13-11/h2,4,6H,3,5,7,11H2,1H3,(H,12,13)
InChIKeyRJDYHTAOZIBFGG-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.16
Rot. Bonds6

About methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate

methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate (PubChem CID 62464712) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate
PubChem CID62464712
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate
SMILESCOC(=O)CCSCc1ccnc(NN)c1
InChIInChI=1S/C10H15N3O2S/c1-15-10(14)3-5-16-7-8-2-4-12-9(6-8)13-11/h2,4,6H,3,5,7,11H2,1H3,(H,12,13)
InChIKeyRJDYHTAOZIBFGG-UHFFFAOYSA-N
XLogP1.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

methyl 3-[(4-methylphenyl)methylsulfanyl]propanoate
CID 17380371
methyl 3-[(2-amino-3-pyridinyl)methylsulfanyl]propanoate
CID 62466963
methyl 3-[[3-(pyrido[2,3-b]pyrazin-6-ylamino)phenyl]methylsulfanyl]propanoate
CID 133301712
(2-hydrazinyl-4-pyridinyl)methanol
CID 59843154
[4-(pyrimidin-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62463993
N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120705250
methyl 3-[(3-cyano-4-methoxyphenyl)methylsulfanyl]propanoate
CID 65341750
2-[[2-(propan-2-ylamino)-4-pyridinyl]methylsulfanyl]ethanol
CID 115923121
methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate
CID 55213505
methyl 3-[[3-[[2-(4-aminophenyl)acetyl]amino]phenyl]methylsulfanyl]propanoate
CID 119775577
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 62470301
2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide
CID 114234591

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate?
The IUPAC name of methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate (CID 62464712) is methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate.
What is the SMILES notation for methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate?
The canonical SMILES for methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate is COC(=O)CCSCc1ccnc(NN)c1.
What is the InChIKey of methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate?
The InChIKey is RJDYHTAOZIBFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-10(14)3-5-16-7-8-2-4-12-9(6-8)13-11/h2,4,6H,3,5,7,11H2,1H3,(H,12,13).
What are the key properties of methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate?
methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate has a molecular weight of 241.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydrazinyl-4-pyridinyl)methylsulfanyl]propanoate is sourced from PubChem (CID 62464712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).