methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate

C6H12N2O4S — CID 54485910

IUPACmethyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1S(N)(=O)=O
InChIInChI=1S/C6H12N2O4S/c1-12-6(9)5-3-2-4-8(5)13(7,10)11/h5H,2-4H2,1H3,(H2,7,10,11)/t5-/m0/s1
InChIKeyXSGWELHIWGRDPM-YFKPBYRVSA-N
MW208.24 g/mol
LogP-1.17
Rot. Bonds2

About methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate

methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate (PubChem CID 54485910) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate
PubChem CID54485910
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Namemethyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1S(N)(=O)=O
InChIInChI=1S/C6H12N2O4S/c1-12-6(9)5-3-2-4-8(5)13(7,10)11/h5H,2-4H2,1H3,(H2,7,10,11)/t5-/m0/s1
InChIKeyXSGWELHIWGRDPM-YFKPBYRVSA-N
XLogP-1.17
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate (CID 54485910) is methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1S(N)(=O)=O.
What is the InChIKey of methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate?
The InChIKey is XSGWELHIWGRDPM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-12-6(9)5-3-2-4-8(5)13(7,10)11/h5H,2-4H2,1H3,(H2,7,10,11)/t5-/m0/s1.
What are the key properties of methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate?
methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate has a molecular weight of 208.24 g/mol, XLogP of -1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 54485910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).