3-ethylcyclopentane-1-sulfonic acid

C7H14O3S — CID 146965844

IUPAC3-ethylcyclopentane-1-sulfonic acid
SMILESCCC1CCC(S(=O)(=O)O)C1
InChIInChI=1S/C7H14O3S/c1-2-6-3-4-7(5-6)11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10)
InChIKeyALMGFJZZTRXMCH-UHFFFAOYSA-N
MW178.25 g/mol
LogP1.45
Rot. Bonds2

About 3-ethylcyclopentane-1-sulfonic acid

3-ethylcyclopentane-1-sulfonic acid (PubChem CID 146965844) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-ethylcyclopentane-1-sulfonic acid.

Molecular Properties

Compound Name3-ethylcyclopentane-1-sulfonic acid
PubChem CID146965844
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-ethylcyclopentane-1-sulfonic acid
SMILESCCC1CCC(S(=O)(=O)O)C1
InChIInChI=1S/C7H14O3S/c1-2-6-3-4-7(5-6)11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10)
InChIKeyALMGFJZZTRXMCH-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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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Related Compounds

cyclopropanesulfonic acid
CID 10419166
1,3-diethylcyclopentane
CID 530396
4-ethylcyclohexane-1-sulfonate
CID 140502765
4-ethyl-2-methylsulfonylcyclohexan-1-ol
CID 62784582
3-(3-sulfocyclohexyl)sulfonylcyclohexane-1-sulfonic acid
CID 89040753
[[(1R,2R)-4-ethyl-2-(sulfooxyamino)cyclohexyl]amino] hydrogen sulfate
CID 87903429
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
1-ethyl-4-methylsulfonylcycloheptane
CID 58832068
trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane
CID 130451457
1-(3-ethylcyclopentyl)butan-1-one
CID 65407371
(2S)-2-[(4-ethylcyclohexyl)sulfonylamino]-3-methylbutanoic acid
CID 143588619
(3-ethylcyclopentyl)methanesulfonic acid;[3-(trioxidanylsulfanylmethyl)cyclopentyl]methanesulfonic acid
CID 162292806

Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclopentane-1-sulfonic acid?
The IUPAC name of 3-ethylcyclopentane-1-sulfonic acid (CID 146965844) is 3-ethylcyclopentane-1-sulfonic acid.
What is the SMILES notation for 3-ethylcyclopentane-1-sulfonic acid?
The canonical SMILES for 3-ethylcyclopentane-1-sulfonic acid is CCC1CCC(S(=O)(=O)O)C1.
What is the InChIKey of 3-ethylcyclopentane-1-sulfonic acid?
The InChIKey is ALMGFJZZTRXMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-2-6-3-4-7(5-6)11(8,9)10/h6-7H,2-5H2,1H3,(H,8,9,10).
What are the key properties of 3-ethylcyclopentane-1-sulfonic acid?
3-ethylcyclopentane-1-sulfonic acid has a molecular weight of 178.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclopentane-1-sulfonic acid is sourced from PubChem (CID 146965844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).