2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid

C11H20O4S — CID 81008661

IUPAC2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid
SMILESCCS(=O)(=O)CCCC1CCCC1C(=O)O
InChIInChI=1S/C11H20O4S/c1-2-16(14,15)8-4-6-9-5-3-7-10(9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyQZSHRQAKMDBQFO-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.70
Rot. Bonds6

About 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid

2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid (PubChem CID 81008661) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid
PubChem CID81008661
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid
SMILESCCS(=O)(=O)CCCC1CCCC1C(=O)O
InChIInChI=1S/C11H20O4S/c1-2-16(14,15)8-4-6-9-5-3-7-10(9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyQZSHRQAKMDBQFO-UHFFFAOYSA-N
XLogP1.70
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid (CID 81008661) is 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid is CCS(=O)(=O)CCCC1CCCC1C(=O)O.
What is the InChIKey of 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid?
The InChIKey is QZSHRQAKMDBQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-2-16(14,15)8-4-6-9-5-3-7-10(9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid?
2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid has a molecular weight of 248.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).