2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid

C9H12N2O4S2 — CID 146570591

IUPAC2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(C2CCCN2C(=O)O)s1
InChIInChI=1S/C9H12N2O4S2/c10-17(14,15)8-4-3-7(16-8)6-2-1-5-11(6)9(12)13/h3-4,6H,1-2,5H2,(H,12,13)(H2,10,14,15)
InChIKeyRZZVVNJIZIKDEL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.21
Rot. Bonds2

About 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid

2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 146570591) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID146570591
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Name2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(C2CCCN2C(=O)O)s1
InChIInChI=1S/C9H12N2O4S2/c10-17(14,15)8-4-3-7(16-8)6-2-1-5-11(6)9(12)13/h3-4,6H,1-2,5H2,(H,12,13)(H2,10,14,15)
InChIKeyRZZVVNJIZIKDEL-UHFFFAOYSA-N
XLogP1.21
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid (CID 146570591) is 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid is NS(=O)(=O)c1ccc(C2CCCN2C(=O)O)s1.
What is the InChIKey of 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is RZZVVNJIZIKDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c10-17(14,15)8-4-3-7(16-8)6-2-1-5-11(6)9(12)13/h3-4,6H,1-2,5H2,(H,12,13)(H2,10,14,15).
What are the key properties of 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid?
2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-sulfamoylthiophen-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146570591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).