ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate

C7H14N2O4S — CID 51888911

IUPACethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1S(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)/t6-/m1/s1
InChIKeyJTVSCILRYKVTFP-ZCFIWIBFSA-N
MW222.27 g/mol
LogP-0.78
Rot. Bonds3

About ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate

ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate (PubChem CID 51888911) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate
PubChem CID51888911
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Nameethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1S(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)/t6-/m1/s1
InChIKeyJTVSCILRYKVTFP-ZCFIWIBFSA-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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate (CID 51888911) is ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate is CCOC(=O)[C@H]1CCCN1S(N)(=O)=O.
What is the InChIKey of ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate?
The InChIKey is JTVSCILRYKVTFP-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate?
ethyl (2R)-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 (2R)-1-sulfamoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 51888911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).