2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid

C14H18O4S2 — CID 67485282

IUPAC2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1csc(C2(C(=O)O)CC2C2CCCC2)c1
InChIInChI=1S/C14H18O4S2/c1-20(17,18)10-6-12(19-8-10)14(13(15)16)7-11(14)9-4-2-3-5-9/h6,8-9,11H,2-5,7H2,1H3,(H,15,16)
InChIKeyLWWXWRNLHIBJMQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid

2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 67485282) has the molecular formula C14H18O4S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID67485282
Molecular FormulaC14H18O4S2
Molecular Weight314.43 g/mol
Exact Mass314.06
IUPAC Name2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1csc(C2(C(=O)O)CC2C2CCCC2)c1
InChIInChI=1S/C14H18O4S2/c1-20(17,18)10-6-12(19-8-10)14(13(15)16)7-11(14)9-4-2-3-5-9/h6,8-9,11H,2-5,7H2,1H3,(H,15,16)
InChIKeyLWWXWRNLHIBJMQ-UHFFFAOYSA-N
XLogP2.68
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid (CID 67485282) is 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid is CS(=O)(=O)c1csc(C2(C(=O)O)CC2C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LWWXWRNLHIBJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S2/c1-20(17,18)10-6-12(19-8-10)14(13(15)16)7-11(14)9-4-2-3-5-9/h6,8-9,11H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid?
2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 314.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67485282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).