2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

C13H22N2O5S — CID 103343373

IUPAC2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCC(=O)NC1CCN(S(=O)(=O)C2CCCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O5S/c1-9(16)14-10-5-7-15(8-6-10)21(19,20)12-4-2-3-11(12)13(17)18/h10-12H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyPXOBCJPDJNSBHG-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.17
Rot. Bonds4

About 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103343373) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID103343373
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCC(=O)NC1CCN(S(=O)(=O)C2CCCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O5S/c1-9(16)14-10-5-7-15(8-6-10)21(19,20)12-4-2-3-11(12)13(17)18/h10-12H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyPXOBCJPDJNSBHG-UHFFFAOYSA-N
XLogP0.17
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (CID 103343373) is 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is CC(=O)NC1CCN(S(=O)(=O)C2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is PXOBCJPDJNSBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-9(16)14-10-5-7-15(8-6-10)21(19,20)12-4-2-3-11(12)13(17)18/h10-12H,2-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).