methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate

C10H14N2O4S — CID 114612607

IUPACmethyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(N)(=O)=O)cn1C1CCC1
InChIInChI=1S/C10H14N2O4S/c1-16-10(13)9-5-8(17(11,14)15)6-12(9)7-3-2-4-7/h5-7H,2-4H2,1H3,(H2,11,14,15)
InChIKeyUFILQMGXIKVKPU-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.65
Rot. Bonds3

About methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate

methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 114612607) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID114612607
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(N)(=O)=O)cn1C1CCC1
InChIInChI=1S/C10H14N2O4S/c1-16-10(13)9-5-8(17(11,14)15)6-12(9)7-3-2-4-7/h5-7H,2-4H2,1H3,(H2,11,14,15)
InChIKeyUFILQMGXIKVKPU-UHFFFAOYSA-N
XLogP0.65
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(azepan-1-ylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
CID 2809931
Methyl 5-[[(1,1-dimethylethyl)amino]sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810314
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid
CID 8899665
Ethyl 1-methylpyrrole-2-carboxylate
CID 90112
Methyl 1-methylpyrrole-2-carboxylate
CID 142178
ethyl 4-({[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}amino)piperidine-1-carboxylate
CID 3243586
ethyl 4-{[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate
CID 3245578
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4780076

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate (CID 114612607) is methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate is COC(=O)c1cc(S(N)(=O)=O)cn1C1CCC1.
What is the InChIKey of methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is UFILQMGXIKVKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-16-10(13)9-5-8(17(11,14)15)6-12(9)7-3-2-4-7/h5-7H,2-4H2,1H3,(H2,11,14,15).
What are the key properties of methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate?
methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 114612607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).