hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate

C10H13ClN2O2S — CID 103290681

IUPAChydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
SMILESNNOC(=O)CCSCc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2S/c11-9-4-2-1-3-8(9)7-16-6-5-10(14)15-13-12/h1-4,13H,5-7,12H2
InChIKeyHCEYOLGDFYCJMF-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.88
Rot. Bonds6

About hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate

hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate (PubChem CID 103290681) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
PubChem CID103290681
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Namehydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
SMILESNNOC(=O)CCSCc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2S/c11-9-4-2-1-3-8(9)7-16-6-5-10(14)15-13-12/h1-4,13H,5-7,12H2
InChIKeyHCEYOLGDFYCJMF-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.88
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

2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate
CID 66338067
3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide
CID 103288542
4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
CID 103290660
N-(3-aminophenyl)-3-[(2-chlorophenyl)methylsulfanyl]propanamide
CID 103288410
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)-2-methylbutanoate
CID 103289736
ethyl 5-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)pentanoate
CID 103289693
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 103289639
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2279724
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-propylurea
CID 100748298
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate?
The IUPAC name of hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate (CID 103290681) is hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate.
What is the SMILES notation for hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate?
The canonical SMILES for hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate is NNOC(=O)CCSCc1ccccc1Cl.
What is the InChIKey of hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate?
The InChIKey is HCEYOLGDFYCJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-9-4-2-1-3-8(9)7-16-6-5-10(14)15-13-12/h1-4,13H,5-7,12H2.
What are the key properties of hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate?
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate has a molecular weight of 260.75 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate is sourced from PubChem (CID 103290681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).