ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate

C8H16N2O4S — CID 43362367

IUPACethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NC
InChIInChI=1S/C8H16N2O4S/c1-3-14-8(11)7-5-4-6-10(7)15(12,13)9-2/h7,9H,3-6H2,1-2H3
InChIKeyCJXJWQQJWBAOGM-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.52
Rot. Bonds4

About ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate

ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate (PubChem CID 43362367) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
PubChem CID43362367
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Nameethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NC
InChIInChI=1S/C8H16N2O4S/c1-3-14-8(11)7-5-4-6-10(7)15(12,13)9-2/h7,9H,3-6H2,1-2H3
InChIKeyCJXJWQQJWBAOGM-UHFFFAOYSA-N
XLogP-0.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
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-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 62380091
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 103876035
ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
CID 103848070

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate (CID 43362367) is ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)NC.
What is the InChIKey of ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate?
The InChIKey is CJXJWQQJWBAOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-3-14-8(11)7-5-4-6-10(7)15(12,13)9-2/h7,9H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate?
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate has a molecular weight of 236.29 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43362367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).