1-formylcyclopentane-1-sulfonic acid

C6H10O4S — CID 175344575

IUPAC1-formylcyclopentane-1-sulfonic acid
SMILESO=CC1(S(=O)(=O)O)CCCC1
InChIInChI=1S/C6H10O4S/c7-5-6(11(8,9)10)3-1-2-4-6/h5H,1-4H2,(H,8,9,10)
InChIKeyXOOLKXNQEBDAJD-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.39
Rot. Bonds2

About 1-formylcyclopentane-1-sulfonic acid

1-formylcyclopentane-1-sulfonic acid (PubChem CID 175344575) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-formylcyclopentane-1-sulfonic acid.

Molecular Properties

Compound Name1-formylcyclopentane-1-sulfonic acid
PubChem CID175344575
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name1-formylcyclopentane-1-sulfonic acid
SMILESO=CC1(S(=O)(=O)O)CCCC1
InChIInChI=1S/C6H10O4S/c7-5-6(11(8,9)10)3-1-2-4-6/h5H,1-4H2,(H,8,9,10)
InChIKeyXOOLKXNQEBDAJD-UHFFFAOYSA-N
XLogP0.39
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-1-ylsulfonylcyclopentane-1-carbaldehyde
CID 115045621
1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde
CID 115045620
1-hydroxycyclooctane-1-carbaldehyde
CID 130025311
1-ethylsulfonylcyclopropane-1-carbaldehyde
CID 99990468
(1-formylcyclopropyl)sulfonylcarbamic acid
CID 89156737
1-ethenyl-3-methylcyclopentane-1-sulfonic acid
CID 118958954
1-tert-butylcyclohexane-1-sulfonic acid
CID 22930345
1-aminocyclopentane-1-carbaldehyde;methanol
CID 142267207
(1,2-diformylcyclohexyl)-formylsulfamic acid
CID 87762098
1-(2-oxoethyl)cyclohexane-1-carbaldehyde
CID 89249551
sulfuric acid;2,2,6,6-tetramethylpiperidine
CID 21127455
potassium;hydride;1-prop-2-enylcyclopropane-1-sulfonic acid
CID 173007165

Frequently Asked Questions

What is the IUPAC name of 1-formylcyclopentane-1-sulfonic acid?
The IUPAC name of 1-formylcyclopentane-1-sulfonic acid (CID 175344575) is 1-formylcyclopentane-1-sulfonic acid.
What is the SMILES notation for 1-formylcyclopentane-1-sulfonic acid?
The canonical SMILES for 1-formylcyclopentane-1-sulfonic acid is O=CC1(S(=O)(=O)O)CCCC1.
What is the InChIKey of 1-formylcyclopentane-1-sulfonic acid?
The InChIKey is XOOLKXNQEBDAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c7-5-6(11(8,9)10)3-1-2-4-6/h5H,1-4H2,(H,8,9,10).
What are the key properties of 1-formylcyclopentane-1-sulfonic acid?
1-formylcyclopentane-1-sulfonic acid has a molecular weight of 178.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formylcyclopentane-1-sulfonic acid is sourced from PubChem (CID 175344575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).