ethyl 2-methyl-3-sulfamoylprop-2-enoate

C6H11NO4S — CID 175004605

IUPACethyl 2-methyl-3-sulfamoylprop-2-enoate
SMILESCCOC(=O)C(C)=CS(N)(=O)=O
InChIInChI=1S/C6H11NO4S/c1-3-11-6(8)5(2)4-12(7,9)10/h4H,3H2,1-2H3,(H2,7,9,10)
InChIKeyATTNOTNNMDLAFF-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.26
Rot. Bonds3

About ethyl 2-methyl-3-sulfamoylprop-2-enoate

ethyl 2-methyl-3-sulfamoylprop-2-enoate (PubChem CID 175004605) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is ethyl 2-methyl-3-sulfamoylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-sulfamoylprop-2-enoate
PubChem CID175004605
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Nameethyl 2-methyl-3-sulfamoylprop-2-enoate
SMILESCCOC(=O)C(C)=CS(N)(=O)=O
InChIInChI=1S/C6H11NO4S/c1-3-11-6(8)5(2)4-12(7,9)10/h4H,3H2,1-2H3,(H2,7,9,10)
InChIKeyATTNOTNNMDLAFF-UHFFFAOYSA-N
XLogP-0.26
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-methyl-3-sulfamoylprop-2-enoate 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 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl (E)-2-methylpent-2-enoate
CID 6436311
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787
diethyl 2-methylpent-2-enedioate
CID 592902
azane;ethyl 2,4,4-trimethylpent-2-enoate
CID 175378002
ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate
CID 91329650
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
CID 159370772
CID 159370772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-sulfamoylprop-2-enoate?
The IUPAC name of ethyl 2-methyl-3-sulfamoylprop-2-enoate (CID 175004605) is ethyl 2-methyl-3-sulfamoylprop-2-enoate.
What is the SMILES notation for ethyl 2-methyl-3-sulfamoylprop-2-enoate?
The canonical SMILES for ethyl 2-methyl-3-sulfamoylprop-2-enoate is CCOC(=O)C(C)=CS(N)(=O)=O.
What is the InChIKey of ethyl 2-methyl-3-sulfamoylprop-2-enoate?
The InChIKey is ATTNOTNNMDLAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-3-11-6(8)5(2)4-12(7,9)10/h4H,3H2,1-2H3,(H2,7,9,10).
What are the key properties of ethyl 2-methyl-3-sulfamoylprop-2-enoate?
ethyl 2-methyl-3-sulfamoylprop-2-enoate has a molecular weight of 193.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-sulfamoylprop-2-enoate is sourced from PubChem (CID 175004605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).