3-methylsulfonylcyclopentane-1-carboxylic acid

C7H12O4S — CID 84719929

IUPAC3-methylsulfonylcyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C7H12O4S/c1-12(10,11)6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyFTMNQXBZXYNTNT-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.28
Rot. Bonds2

About 3-methylsulfonylcyclopentane-1-carboxylic acid

3-methylsulfonylcyclopentane-1-carboxylic acid (PubChem CID 84719929) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-methylsulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-methylsulfonylcyclopentane-1-carboxylic acid
PubChem CID84719929
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name3-methylsulfonylcyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C7H12O4S/c1-12(10,11)6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyFTMNQXBZXYNTNT-UHFFFAOYSA-N
XLogP0.28
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-methylsulfonylcyclopentane-1-carboxylic acid (CID 84719929) is 3-methylsulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-methylsulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-methylsulfonylcyclopentane-1-carboxylic acid is CS(=O)(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-methylsulfonylcyclopentane-1-carboxylic acid?
The InChIKey is FTMNQXBZXYNTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-12(10,11)6-3-2-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-methylsulfonylcyclopentane-1-carboxylic acid?
3-methylsulfonylcyclopentane-1-carboxylic acid has a molecular weight of 192.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 84719929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).