cyclopentylmethanesulfonic acid;hydrochloride

C6H13ClO3S — CID 174643777

IUPACcyclopentylmethanesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)CC1CCCC1
InChIInChI=1S/C6H12O3S.ClH/c7-10(8,9)5-6-3-1-2-4-6;/h6H,1-5H2,(H,7,8,9);1H
InChIKeyLKBXICPAXOTNSG-UHFFFAOYSA-N
MW200.69 g/mol
LogP1.49
Rot. Bonds2

About cyclopentylmethanesulfonic acid;hydrochloride

cyclopentylmethanesulfonic acid;hydrochloride (PubChem CID 174643777) has the molecular formula C6H13ClO3S and a molecular weight of 200.69 g/mol. Its IUPAC name is cyclopentylmethanesulfonic acid;hydrochloride.

Molecular Properties

Compound Namecyclopentylmethanesulfonic acid;hydrochloride
PubChem CID174643777
Molecular FormulaC6H13ClO3S
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Namecyclopentylmethanesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)CC1CCCC1
InChIInChI=1S/C6H12O3S.ClH/c7-10(8,9)5-6-3-1-2-4-6;/h6H,1-5H2,(H,7,8,9);1H
InChIKeyLKBXICPAXOTNSG-UHFFFAOYSA-N
XLogP1.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 51.49
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

(4,4-dimethylcyclohexyl)methanesulfonic acid
CID 131183489
(4,4-difluorocyclohexyl)methanesulfonic acid
CID 154021800
(2-fluorocyclohexyl)methanesulfonic acid
CID 87155584
[4-(2,2-dimethylpropyl)cyclohexyl]methanesulfonic acid
CID 175188256
cyclopentylmethanesulfonyl chloride
CID 2735404
cycloheptylmethanesulfonyl fluoride
CID 115019897
cyclohexylmethanol;sulfuric acid
CID 71362926
(1,1-dioxothietan-3-yl)methanesulfonic acid
CID 156503243
10-cyclohexyldecane-1-sulfonic acid
CID 150281509
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
2-chloroethylsulfonylmethylcyclopentane
CID 63118869
2-(cyclopentylmethoxy)-2-oxoethanesulfonic acid
CID 129061918

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethanesulfonic acid;hydrochloride?
The IUPAC name of cyclopentylmethanesulfonic acid;hydrochloride (CID 174643777) is cyclopentylmethanesulfonic acid;hydrochloride.
What is the SMILES notation for cyclopentylmethanesulfonic acid;hydrochloride?
The canonical SMILES for cyclopentylmethanesulfonic acid;hydrochloride is Cl.O=S(=O)(O)CC1CCCC1.
What is the InChIKey of cyclopentylmethanesulfonic acid;hydrochloride?
The InChIKey is LKBXICPAXOTNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S.ClH/c7-10(8,9)5-6-3-1-2-4-6;/h6H,1-5H2,(H,7,8,9);1H.
What are the key properties of cyclopentylmethanesulfonic acid;hydrochloride?
cyclopentylmethanesulfonic acid;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethanesulfonic acid;hydrochloride is sourced from PubChem (CID 174643777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).