2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid

C10H18O4S — CID 81008199

IUPAC2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCCC1CCCC1C(=O)O
InChIInChI=1S/C10H18O4S/c1-15(13,14)7-3-5-8-4-2-6-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyNBQPIVXQRXTBSU-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.31
Rot. Bonds5

About 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid

2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid (PubChem CID 81008199) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid
PubChem CID81008199
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCCC1CCCC1C(=O)O
InChIInChI=1S/C10H18O4S/c1-15(13,14)7-3-5-8-4-2-6-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyNBQPIVXQRXTBSU-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid (CID 81008199) is 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid is CS(=O)(=O)CCCC1CCCC1C(=O)O.
What is the InChIKey of 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid?
The InChIKey is NBQPIVXQRXTBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-15(13,14)7-3-5-8-4-2-6-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid?
2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid has a molecular weight of 234.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).