1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid

C10H18O4S — CID 106727828

IUPAC1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)CCC1(C(=O)O)CCC1
InChIInChI=1S/C10H18O4S/c1-8(2)15(13,14)7-6-10(9(11)12)4-3-5-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyMIZNHPHQKSVUKU-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.45
Rot. Bonds5

About 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid

1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid (PubChem CID 106727828) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid
PubChem CID106727828
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)CCC1(C(=O)O)CCC1
InChIInChI=1S/C10H18O4S/c1-8(2)15(13,14)7-6-10(9(11)12)4-3-5-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyMIZNHPHQKSVUKU-UHFFFAOYSA-N
XLogP1.45
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 106727790
1-(2-propan-2-ylsulfonylethyl)cycloheptane-1-carboxylic acid
CID 106734099
2-oxo-1-(2-propan-2-ylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 106727898
1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid
CID 106727583
1-(2-fluoroethyl)cyclobutane-1-carboxylic acid
CID 80693972
N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106729871
1-(3-aminobutyl)cyclohexane-1-carboxylic acid
CID 174943817
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydroindene-1-carboxylic acid
CID 106734122
3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 86283115
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106730047

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid (CID 106727828) is 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid is CC(C)S(=O)(=O)CCC1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid?
The InChIKey is MIZNHPHQKSVUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-8(2)15(13,14)7-6-10(9(11)12)4-3-5-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid?
1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid has a molecular weight of 234.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106727828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).