1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid

C10H14N2O4S — CID 43294278

IUPAC1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCn1ccc(S(=O)(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C10H14N2O4S/c1-11-6-4-8(7-11)17(15,16)12-5-2-3-9(12)10(13)14/h4,6-7,9H,2-3,5H2,1H3,(H,13,14)
InChIKeyYVKDCLBTGZYVJR-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.26
Rot. Bonds3

About 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid

1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43294278) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43294278
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCn1ccc(S(=O)(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C10H14N2O4S/c1-11-6-4-8(7-11)17(15,16)12-5-2-3-9(12)10(13)14/h4,6-7,9H,2-3,5H2,1H3,(H,13,14)
InChIKeyYVKDCLBTGZYVJR-UHFFFAOYSA-N
XLogP0.26
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 43294278) is 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid is Cn1ccc(S(=O)(=O)N2CCCC2C(=O)O)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is YVKDCLBTGZYVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-11-6-4-8(7-11)17(15,16)12-5-2-3-9(12)10(13)14/h4,6-7,9H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid?
1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43294278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).