2-chlorosulfonyl-2-cyclopentylpropanoic acid

C8H13ClO4S — CID 87951583

IUPAC2-chlorosulfonyl-2-cyclopentylpropanoic acid
SMILESCC(C(=O)O)(C1CCCC1)S(=O)(=O)Cl
InChIInChI=1S/C8H13ClO4S/c1-8(7(10)11,14(9,12)13)6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,11)
InChIKeyMOJSEFBUNWAMMY-UHFFFAOYSA-N
MW240.71 g/mol
LogP1.59
Rot. Bonds3

About 2-chlorosulfonyl-2-cyclopentylpropanoic acid

2-chlorosulfonyl-2-cyclopentylpropanoic acid (PubChem CID 87951583) has the molecular formula C8H13ClO4S and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-chlorosulfonyl-2-cyclopentylpropanoic acid.

Molecular Properties

Compound Name2-chlorosulfonyl-2-cyclopentylpropanoic acid
PubChem CID87951583
Molecular FormulaC8H13ClO4S
Molecular Weight240.71 g/mol
Exact Mass240.02
IUPAC Name2-chlorosulfonyl-2-cyclopentylpropanoic acid
SMILESCC(C(=O)O)(C1CCCC1)S(=O)(=O)Cl
InChIInChI=1S/C8H13ClO4S/c1-8(7(10)11,14(9,12)13)6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,11)
InChIKeyMOJSEFBUNWAMMY-UHFFFAOYSA-N
XLogP1.59
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
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acetic acid;tert-butylcyclohexane
CID 69013500
1-amino-1-cyclohexylethanesulfonic acid
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2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
(1-cyclopentyl-1-fluoroethyl) trifluoromethanesulfonate
CID 87647961
2-cyclopentylsulfonyl-2-sulfanylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonyl-2-cyclopentylpropanoic acid?
The IUPAC name of 2-chlorosulfonyl-2-cyclopentylpropanoic acid (CID 87951583) is 2-chlorosulfonyl-2-cyclopentylpropanoic acid.
What is the SMILES notation for 2-chlorosulfonyl-2-cyclopentylpropanoic acid?
The canonical SMILES for 2-chlorosulfonyl-2-cyclopentylpropanoic acid is CC(C(=O)O)(C1CCCC1)S(=O)(=O)Cl.
What is the InChIKey of 2-chlorosulfonyl-2-cyclopentylpropanoic acid?
The InChIKey is MOJSEFBUNWAMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO4S/c1-8(7(10)11,14(9,12)13)6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-chlorosulfonyl-2-cyclopentylpropanoic acid?
2-chlorosulfonyl-2-cyclopentylpropanoic acid has a molecular weight of 240.71 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonyl-2-cyclopentylpropanoic acid is sourced from PubChem (CID 87951583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).