(2-methylcyclopentyl)methanesulfonic acid

C7H14O3S — CID 19042340

IUPAC(2-methylcyclopentyl)methanesulfonic acid
SMILESCC1CCCC1CS(=O)(=O)O
InChIInChI=1S/C7H14O3S/c1-6-3-2-4-7(6)5-11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10)
InChIKeyUQJSJORZTQCERC-UHFFFAOYSA-N
MW178.25 g/mol
LogP1.31
Rot. Bonds2

About (2-methylcyclopentyl)methanesulfonic acid

(2-methylcyclopentyl)methanesulfonic acid (PubChem CID 19042340) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is (2-methylcyclopentyl)methanesulfonic acid.

Molecular Properties

Compound Name(2-methylcyclopentyl)methanesulfonic acid
PubChem CID19042340
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name(2-methylcyclopentyl)methanesulfonic acid
SMILESCC1CCCC1CS(=O)(=O)O
InChIInChI=1S/C7H14O3S/c1-6-3-2-4-7(6)5-11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10)
InChIKeyUQJSJORZTQCERC-UHFFFAOYSA-N
XLogP1.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopentyl)methanesulfonic acid?
The IUPAC name of (2-methylcyclopentyl)methanesulfonic acid (CID 19042340) is (2-methylcyclopentyl)methanesulfonic acid.
What is the SMILES notation for (2-methylcyclopentyl)methanesulfonic acid?
The canonical SMILES for (2-methylcyclopentyl)methanesulfonic acid is CC1CCCC1CS(=O)(=O)O.
What is the InChIKey of (2-methylcyclopentyl)methanesulfonic acid?
The InChIKey is UQJSJORZTQCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-6-3-2-4-7(6)5-11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10).
What are the key properties of (2-methylcyclopentyl)methanesulfonic acid?
(2-methylcyclopentyl)methanesulfonic acid has a molecular weight of 178.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)methanesulfonic acid is sourced from PubChem (CID 19042340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).