2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid

C13H22N2O5S — CID 103342466

IUPAC2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H22N2O5S/c1-14(2)12(16)10-6-4-8-15(10)21(19,20)11-7-3-5-9(11)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyQTWSUSUWDLBEHB-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.12
Rot. Bonds4

About 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid

2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103342466) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
PubChem CID103342466
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H22N2O5S/c1-14(2)12(16)10-6-4-8-15(10)21(19,20)11-7-3-5-9(11)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyQTWSUSUWDLBEHB-UHFFFAOYSA-N
XLogP0.12
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342838
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343407
2-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)sulfonyl]cyclopentane-1-carboxylic acid
CID 103343577
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343565
2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342422
2-(2-thiophen-3-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342623
2-(4-ethylazepan-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343075
2-[3-(methoxymethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 106586198
2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342880

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid (CID 103342466) is 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid is CN(C)C(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is QTWSUSUWDLBEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-14(2)12(16)10-6-4-8-15(10)21(19,20)11-7-3-5-9(11)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).