ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate

C11H15N3O4S — CID 5192357

IUPACethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
SMILESCCOC(=O)CC(N)=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15N3O4S/c1-2-18-11(15)8-10(12)13-14-19(16,17)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKeyPNYRFOZLXMPPSK-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.19
Rot. Bonds6

About ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate

ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate (PubChem CID 5192357) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
PubChem CID5192357
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Nameethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
SMILESCCOC(=O)CC(N)=NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15N3O4S/c1-2-18-11(15)8-10(12)13-14-19(16,17)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKeyPNYRFOZLXMPPSK-UHFFFAOYSA-N
XLogP0.19
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate 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

ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate
CID 5354737
ethyl 3-[[3-(phenylcarbamoyl)phenyl]sulfonylhydrazinylidene]butanoate
CID 3119504
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
CID 3265581
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
ethyl 2-[benzenesulfonyl(2-oxopropyl)amino]acetate
CID 42807608
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
ethyl 3-[[4-(benzenesulfonamido)-4-oxobutanoyl]amino]propanoate
CID 172991928
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
CID 57249051
ethyl (4Z)-4-(benzenesulfonylhydrazinylidene)-4-(4-bromophenyl)-2-(triphenyl-λ5-phosphanylidene)butanoate
CID 15471571
ethyl 2-amino-2-(benzenesulfonamido)propanoate
CID 57069494

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate?
The IUPAC name of ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate (CID 5192357) is ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate?
The canonical SMILES for ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate is CCOC(=O)CC(N)=NNS(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate?
The InChIKey is PNYRFOZLXMPPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-2-18-11(15)8-10(12)13-14-19(16,17)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13).
What are the key properties of ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate?
ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate has a molecular weight of 285.33 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate is sourced from PubChem (CID 5192357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).