ethyl 1-sulfamoylpyrrolidine-2-carboxylate

C7H14N2O4S — CID 43362365

IUPACethyl 1-sulfamoylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(N)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-2-13-7(10)6-4-3-5-9(6)14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12)
InChIKeyJTVSCILRYKVTFP-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.78
Rot. Bonds3

About ethyl 1-sulfamoylpyrrolidine-2-carboxylate

ethyl 1-sulfamoylpyrrolidine-2-carboxylate (PubChem CID 43362365) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is ethyl 1-sulfamoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-sulfamoylpyrrolidine-2-carboxylate
PubChem CID43362365
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Nameethyl 1-sulfamoylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(N)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-2-13-7(10)6-4-3-5-9(6)14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12)
InChIKeyJTVSCILRYKVTFP-UHFFFAOYSA-N
XLogP-0.78
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-sulfamoylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-sulfamoylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-sulfamoylpyrrolidine-2-carboxylate (CID 43362365) is ethyl 1-sulfamoylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-sulfamoylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-sulfamoylpyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(N)(=O)=O.
What is the InChIKey of ethyl 1-sulfamoylpyrrolidine-2-carboxylate?
The InChIKey is JTVSCILRYKVTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-2-13-7(10)6-4-3-5-9(6)14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12).
What are the key properties of ethyl 1-sulfamoylpyrrolidine-2-carboxylate?
ethyl 1-sulfamoylpyrrolidine-2-carboxylate has a molecular weight of 222.27 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-sulfamoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 43362365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).