1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid

C12H14FNO3S — CID 144826536

IUPAC1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1S(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3S/c1-12(11(15)16)7-2-8-14(12)18(17)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyJCKMYIFMOHQSDY-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.79
Rot. Bonds3

About 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid

1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 144826536) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid
PubChem CID144826536
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1S(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3S/c1-12(11(15)16)7-2-8-14(12)18(17)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyJCKMYIFMOHQSDY-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid (CID 144826536) is 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1S(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is JCKMYIFMOHQSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-12(11(15)16)7-2-8-14(12)18(17)10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid?
1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 144826536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).