methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate

C11H18N2O4S — CID 2810314

IUPACmethyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)n1C
InChIInChI=1S/C11H18N2O4S/c1-11(2,3)12-18(15,16)9-7-6-8(13(9)4)10(14)17-5/h6-7,12H,1-5H3
InChIKeyIPZXIVACTJXTNI-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.89
Rot. Bonds3

About methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate

methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate (PubChem CID 2810314) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate
PubChem CID2810314
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)n1C
InChIInChI=1S/C11H18N2O4S/c1-11(2,3)12-18(15,16)9-7-6-8(13(9)4)10(14)17-5/h6-7,12H,1-5H3
InChIKeyIPZXIVACTJXTNI-UHFFFAOYSA-N
XLogP0.89
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.89
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-{[4-(aminocarbonyl)piperidino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809929
methyl 5-{[4-(2-hydroxyethyl)piperazino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809932
Methyl 5-(4-hydroxypiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylate
CID 2810186
methyl 5-[(benzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810316
5-(1-azepanylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
CID 2810323
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
methyl 1-methyl-5-[(4-methylpiperazino)sulfonyl]-1H-pyrrole-2-carboxylate
CID 2809930
methyl 5-{[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810189
methyl 1-methyl-5-{[(pyridin-2-ylmethyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 2810191

Frequently Asked Questions

What is the IUPAC name of methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate (CID 2810314) is methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)n1C.
What is the InChIKey of methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is IPZXIVACTJXTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-11(2,3)12-18(15,16)9-7-6-8(13(9)4)10(14)17-5/h6-7,12H,1-5H3.
What are the key properties of methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate?
methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(tert-butylsulfamoyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2810314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).