5-cyclohexylsulfonylpentanoic acid

C11H20O4S — CID 60872104

IUPAC5-cyclohexylsulfonylpentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H20O4S/c12-11(13)8-4-5-9-16(14,15)10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)
InChIKeyKNNSVFNUIQZQOT-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.99
Rot. Bonds6

About 5-cyclohexylsulfonylpentanoic acid

5-cyclohexylsulfonylpentanoic acid (PubChem CID 60872104) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is 5-cyclohexylsulfonylpentanoic acid.

Molecular Properties

Compound Name5-cyclohexylsulfonylpentanoic acid
PubChem CID60872104
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name5-cyclohexylsulfonylpentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H20O4S/c12-11(13)8-4-5-9-16(14,15)10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)
InChIKeyKNNSVFNUIQZQOT-UHFFFAOYSA-N
XLogP1.99
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 60872498
heptylsulfonylcyclooctane
CID 134525047
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
undecylsulfonylcyclohexane
CID 151596280
6-cyclopentylsulfonylhexan-3-one
CID 106808577
(Z)-7-[(1S,2S,3R,4R)-3-(2-cyclohexylsulfonylethyl)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70428411
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
cyclohexylsulfonylformic acid
CID 117036747
3-cyclohexylsulfonyl-1-phenylpropan-1-one
CID 116694882
7-carboxyheptyl(tricyclohexyl)phosphanium
CID 135362577
3-(4-methylcyclohexyl)sulfonylpropanoic acid
CID 10752174

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylsulfonylpentanoic acid?
The IUPAC name of 5-cyclohexylsulfonylpentanoic acid (CID 60872104) is 5-cyclohexylsulfonylpentanoic acid.
What is the SMILES notation for 5-cyclohexylsulfonylpentanoic acid?
The canonical SMILES for 5-cyclohexylsulfonylpentanoic acid is O=C(O)CCCCS(=O)(=O)C1CCCCC1.
What is the InChIKey of 5-cyclohexylsulfonylpentanoic acid?
The InChIKey is KNNSVFNUIQZQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c12-11(13)8-4-5-9-16(14,15)10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13).
What are the key properties of 5-cyclohexylsulfonylpentanoic acid?
5-cyclohexylsulfonylpentanoic acid has a molecular weight of 248.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylsulfonylpentanoic acid is sourced from PubChem (CID 60872104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).