methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate

C12H18N2O4S — CID 6625782

IUPACmethyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCCC2)cn1C
InChIInChI=1S/C12H18N2O4S/c1-14-8-10(7-11(14)12(15)18-2)19(16,17)13-9-5-3-4-6-9/h7-9,13H,3-6H2,1-2H3
InChIKeyCSQLMWVLQNQOMJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.03
Rot. Bonds4

About methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate

methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate (PubChem CID 6625782) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate
PubChem CID6625782
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCCC2)cn1C
InChIInChI=1S/C12H18N2O4S/c1-14-8-10(7-11(14)12(15)18-2)19(16,17)13-9-5-3-4-6-9/h7-9,13H,3-6H2,1-2H3
InChIKeyCSQLMWVLQNQOMJ-UHFFFAOYSA-N
XLogP1.03
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate (CID 6625782) is methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2CCCC2)cn1C.
What is the InChIKey of methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is CSQLMWVLQNQOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-14-8-10(7-11(14)12(15)18-2)19(16,17)13-9-5-3-4-6-9/h7-9,13H,3-6H2,1-2H3.
What are the key properties of methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate?
methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 286.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopentylsulfamoyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 6625782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).