1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid

C10H18O4S — CID 115040278

IUPAC1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)C1(C(=O)O)CCCCC1
InChIInChI=1S/C10H18O4S/c1-8(2)15(13,14)10(9(11)12)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyUAAIXEULYDZQKO-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.60
Rot. Bonds3

About 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid

1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid (PubChem CID 115040278) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid
PubChem CID115040278
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)C1(C(=O)O)CCCCC1
InChIInChI=1S/C10H18O4S/c1-8(2)15(13,14)10(9(11)12)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyUAAIXEULYDZQKO-UHFFFAOYSA-N
XLogP1.60
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-ylsulfanylcyclohexane-1-carboxylic acid
CID 61342373
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid
CID 115048845
2-methylsulfonylspiro[3.6]decane-2-carboxylic acid
CID 65008025
1-(2-propan-2-ylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 106727790
1-(2-propan-2-ylsulfonylethyl)cycloheptane-1-carboxylic acid
CID 106734099
(1-propan-2-ylsulfonylcyclobutyl)methanol
CID 117037527
1-(4-fluorophenyl)sulfonylcyclohexane-1-carboxylic acid
CID 43519383
1-[methyl(propan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 82236388
1-propan-2-ylsulfonyl-1-propylcyclooctane
CID 123157510
(1-acetylcyclohexyl)sulfonyloxy 1-acetylcyclohexane-1-sulfonate
CID 21225538
1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylic acid
CID 7131932

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid (CID 115040278) is 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid is CC(C)S(=O)(=O)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid?
The InChIKey is UAAIXEULYDZQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-8(2)15(13,14)10(9(11)12)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid?
1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid has a molecular weight of 234.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115040278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).