hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate

C11H16N2O2S — CID 66337335

IUPAChydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
SMILESCc1ccc(SCCC(=O)ONN)cc1C
InChIInChI=1S/C11H16N2O2S/c1-8-3-4-10(7-9(8)2)16-6-5-11(14)15-13-12/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyHCMDXPKLAWFYMZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.71
Rot. Bonds5

About hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate

hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate (PubChem CID 66337335) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate.

Molecular Properties

Compound Namehydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
PubChem CID66337335
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namehydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
SMILESCc1ccc(SCCC(=O)ONN)cc1C
InChIInChI=1S/C11H16N2O2S/c1-8-3-4-10(7-9(8)2)16-6-5-11(14)15-13-12/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyHCMDXPKLAWFYMZ-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yloxyethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 78830378
hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 66338804
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 9455751
methyl 3-(4-fluoro-3-methylphenyl)sulfanylpropanoate
CID 117034036
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 8879255
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119523977
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 55358878
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
ethyl 4-(3,4-dimethylphenyl)sulfanyl-3-oxobutanoate
CID 60644018
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119477664

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate?
The IUPAC name of hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate (CID 66337335) is hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate.
What is the SMILES notation for hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate?
The canonical SMILES for hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate is Cc1ccc(SCCC(=O)ONN)cc1C.
What is the InChIKey of hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate?
The InChIKey is HCMDXPKLAWFYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-3-4-10(7-9(8)2)16-6-5-11(14)15-13-12/h3-4,7,13H,5-6,12H2,1-2H3.
What are the key properties of hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate?
hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate has a molecular weight of 240.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate is sourced from PubChem (CID 66337335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).