hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate

C8H12N4O2S — CID 66338434

IUPAChydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate
SMILESNNOC(=O)CCSc1ncccc1N
InChIInChI=1S/C8H12N4O2S/c9-6-2-1-4-11-8(6)15-5-3-7(13)14-12-10/h1-2,4,12H,3,5,9-10H2
InChIKeyCAPQILUTSYBKQJ-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.07
Rot. Bonds5

About hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate

hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate (PubChem CID 66338434) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate
PubChem CID66338434
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Namehydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate
SMILESNNOC(=O)CCSc1ncccc1N
InChIInChI=1S/C8H12N4O2S/c9-6-2-1-4-11-8(6)15-5-3-7(13)14-12-10/h1-2,4,12H,3,5,9-10H2
InChIKeyCAPQILUTSYBKQJ-UHFFFAOYSA-N
XLogP0.07
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate
CID 66338067
hydrazinyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 66337524
hydrazinyl 3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 66339169
hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 66338804
2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
CID 43300833
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one
CID 43300198
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate
CID 66337338
2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
CID 43300797

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate?
The IUPAC name of hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate (CID 66338434) is hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate.
What is the SMILES notation for hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate?
The canonical SMILES for hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate is NNOC(=O)CCSc1ncccc1N.
What is the InChIKey of hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate?
The InChIKey is CAPQILUTSYBKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-6-2-1-4-11-8(6)15-5-3-7(13)14-12-10/h1-2,4,12H,3,5,9-10H2.
What are the key properties of hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate?
hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate has a molecular weight of 228.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate is sourced from PubChem (CID 66338434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).