ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate

C12H16N4O5S — CID 168680845

IUPACethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CC(CS(N)(=O)=O)CC2=O)nc1
InChIInChI=1S/C12H16N4O5S/c1-2-21-11(18)9-4-14-12(15-5-9)16-6-8(3-10(16)17)7-22(13,19)20/h4-5,8H,2-3,6-7H2,1H3,(H2,13,19,20)
InChIKeyGMAHVPPOFPIUOK-UHFFFAOYSA-N
MW328.35 g/mol
LogP-0.71
Rot. Bonds5

About ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate

ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate (PubChem CID 168680845) has the molecular formula C12H16N4O5S and a molecular weight of 328.35 g/mol. Its IUPAC name is ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
PubChem CID168680845
Molecular FormulaC12H16N4O5S
Molecular Weight328.35 g/mol
Exact Mass328.08
IUPAC Nameethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CC(CS(N)(=O)=O)CC2=O)nc1
InChIInChI=1S/C12H16N4O5S/c1-2-21-11(18)9-4-14-12(15-5-9)16-6-8(3-10(16)17)7-22(13,19)20/h4-5,8H,2-3,6-7H2,1H3,(H2,13,19,20)
InChIKeyGMAHVPPOFPIUOK-UHFFFAOYSA-N
XLogP-0.71
TPSA132.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168682617
methyl 5-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168681086
ethyl 4-[4-(chlorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168672815
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
1-(5-ethoxycarbonylpyrimidin-2-yl)azetidine-3-carboxylic acid
CID 176954225
tert-butyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 168680541
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681735
[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680870
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682571

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate (CID 168680845) is ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CC(CS(N)(=O)=O)CC2=O)nc1.
What is the InChIKey of ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate?
The InChIKey is GMAHVPPOFPIUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5S/c1-2-21-11(18)9-4-14-12(15-5-9)16-6-8(3-10(16)17)7-22(13,19)20/h4-5,8H,2-3,6-7H2,1H3,(H2,13,19,20).
What are the key properties of ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate?
ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate has a molecular weight of 328.35 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate is sourced from PubChem (CID 168680845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).