4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

C12H18N2O5S — CID 83229318

IUPAC4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C12H18N2O5S/c1-7-10(12(15)16)13-8(2)11(7)20(17,18)14-19-9-5-3-4-6-9/h9,13-14H,3-6H2,1-2H3,(H,15,16)
InChIKeyWELWTDUDVNJGNK-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.48
Rot. Bonds5

About 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 83229318) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID83229318
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C12H18N2O5S/c1-7-10(12(15)16)13-8(2)11(7)20(17,18)14-19-9-5-3-4-6-9/h9,13-14H,3-6H2,1-2H3,(H,15,16)
InChIKeyWELWTDUDVNJGNK-UHFFFAOYSA-N
XLogP1.48
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 83229318) is 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)NOC1CCCC1.
What is the InChIKey of 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is WELWTDUDVNJGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-7-10(12(15)16)13-8(2)11(7)20(17,18)14-19-9-5-3-4-6-9/h9,13-14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 83229318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).