ethyl 2-amino-2-(benzenesulfonamido)propanoate

C11H16N2O4S — CID 57069494

IUPACethyl 2-amino-2-(benzenesulfonamido)propanoate
SMILESCCOC(=O)C(C)(N)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-3-17-10(14)11(2,12)13-18(15,16)9-7-5-4-6-8-9/h4-8,13H,3,12H2,1-2H3
InChIKeyYIXWUEJQDCFAMO-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.20
Rot. Bonds5

About ethyl 2-amino-2-(benzenesulfonamido)propanoate

ethyl 2-amino-2-(benzenesulfonamido)propanoate (PubChem CID 57069494) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 2-amino-2-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(benzenesulfonamido)propanoate
PubChem CID57069494
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 2-amino-2-(benzenesulfonamido)propanoate
SMILESCCOC(=O)C(C)(N)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-3-17-10(14)11(2,12)13-18(15,16)9-7-5-4-6-8-9/h4-8,13H,3,12H2,1-2H3
InChIKeyYIXWUEJQDCFAMO-UHFFFAOYSA-N
XLogP0.20
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 2-amino-2-(benzenesulfonamido)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

3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
CID 7164469
ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate
CID 19851069
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375482
ethyl (2S,3R)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375481
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl (2S)-2-(benzylsulfanylmethyl)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 101442419
ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(3-fluoroanilino)propanoate
CID 4151094
ethyl (2R)-3-methylidene-2-[(4-methylphenyl)sulfonylamino]-4-oxo-2-phenylhexanoate
CID 134949166
2-amino-N'-(benzenesulfonyl)-2-methylpropanehydrazide
CID 67519869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(benzenesulfonamido)propanoate?
The IUPAC name of ethyl 2-amino-2-(benzenesulfonamido)propanoate (CID 57069494) is ethyl 2-amino-2-(benzenesulfonamido)propanoate.
What is the SMILES notation for ethyl 2-amino-2-(benzenesulfonamido)propanoate?
The canonical SMILES for ethyl 2-amino-2-(benzenesulfonamido)propanoate is CCOC(=O)C(C)(N)NS(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-amino-2-(benzenesulfonamido)propanoate?
The InChIKey is YIXWUEJQDCFAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-17-10(14)11(2,12)13-18(15,16)9-7-5-4-6-8-9/h4-8,13H,3,12H2,1-2H3.
What are the key properties of ethyl 2-amino-2-(benzenesulfonamido)propanoate?
ethyl 2-amino-2-(benzenesulfonamido)propanoate has a molecular weight of 272.33 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(benzenesulfonamido)propanoate is sourced from PubChem (CID 57069494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).