methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate

C11H14N2O5S2 — CID 168717961

IUPACmethyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H14N2O5S2/c1-6-5-19-10(9(6)11(15)18-2)13-4-7(3-8(13)14)20(12,16)17/h5,7H,3-4H2,1-2H3,(H2,12,16,17)
InChIKeyYDVKYBLYDSYYEK-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.24
Rot. Bonds3

About methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate

methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate (PubChem CID 168717961) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate
PubChem CID168717961
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Namemethyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H14N2O5S2/c1-6-5-19-10(9(6)11(15)18-2)13-4-7(3-8(13)14)20(12,16)17/h5,7H,3-4H2,1-2H3,(H2,12,16,17)
InChIKeyYDVKYBLYDSYYEK-UHFFFAOYSA-N
XLogP0.24
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(3-methoxycarbonyl-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693950
methyl 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-methylthiophene-3-carboxylate
CID 168656979
methyl 2-fluoro-4-methyl-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717592
methyl 4-bromo-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717276
methyl 4-chloro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717278
methyl 2-fluoro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717283
methyl 2-bromo-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717280
1-(4-hydroxy-2,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717885
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
methyl 4-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)-3,5-dimethylbenzoate
CID 168711830
1-(3-cyano-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711935
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate (CID 168717961) is methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate is COC(=O)c1c(C)csc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate?
The InChIKey is YDVKYBLYDSYYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c1-6-5-19-10(9(6)11(15)18-2)13-4-7(3-8(13)14)20(12,16)17/h5,7H,3-4H2,1-2H3,(H2,12,16,17).
What are the key properties of methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate?
methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)thiophene-3-carboxylate is sourced from PubChem (CID 168717961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).