ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate

C10H18N2O4S — CID 62734431

IUPACethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
SMILESC=CCNS(=O)(=O)N1CCCC1C(=O)OCC
InChIInChI=1S/C10H18N2O4S/c1-3-7-11-17(14,15)12-8-5-6-9(12)10(13)16-4-2/h3,9,11H,1,4-8H2,2H3
InChIKeyZLFISUWGGRQVEW-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.03
Rot. Bonds6

About ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate

ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate (PubChem CID 62734431) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
PubChem CID62734431
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
SMILESC=CCNS(=O)(=O)N1CCCC1C(=O)OCC
InChIInChI=1S/C10H18N2O4S/c1-3-7-11-17(14,15)12-8-5-6-9(12)10(13)16-4-2/h3,9,11H,1,4-8H2,2H3
InChIKeyZLFISUWGGRQVEW-UHFFFAOYSA-N
XLogP0.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate 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 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 64590448
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 103876035
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
CID 103848070
ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 62380091
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate (CID 62734431) is ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate is C=CCNS(=O)(=O)N1CCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate?
The InChIKey is ZLFISUWGGRQVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-7-11-17(14,15)12-8-5-6-9(12)10(13)16-4-2/h3,9,11H,1,4-8H2,2H3.
What are the key properties of ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate?
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62734431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).