2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid

C14H18O4S2 — CID 67484599

IUPAC2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1cc(C2(C(=O)O)CC2C2CCCC2)cs1
InChIInChI=1S/C14H18O4S2/c1-20(17,18)12-6-10(8-19-12)14(13(15)16)7-11(14)9-4-2-3-5-9/h6,8-9,11H,2-5,7H2,1H3,(H,15,16)
InChIKeyJRPYEDVPYXNDER-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid

2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 67484599) has the molecular formula C14H18O4S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
PubChem CID67484599
Molecular FormulaC14H18O4S2
Molecular Weight314.43 g/mol
Exact Mass314.06
IUPAC Name2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1cc(C2(C(=O)O)CC2C2CCCC2)cs1
InChIInChI=1S/C14H18O4S2/c1-20(17,18)12-6-10(8-19-12)14(13(15)16)7-11(14)9-4-2-3-5-9/h6,8-9,11H,2-5,7H2,1H3,(H,15,16)
InChIKeyJRPYEDVPYXNDER-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

Analyze 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclopentyl-2-(thiophen-3-yl)acetic acid
CID 12577572
2-(Cyclopentylmethyl)-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 67084452
[2-Cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropyl]methanol
CID 67484329
2-Cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 67484404
1-(2-Cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
CID 67484600
2-Cyclopentyl-1-(4-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 67485282
2-Cyclopentyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 67485388
2-Cyclopentyl-2-(4-methylthiophen-2-yl)propanoic acid
CID 69039437
2-Methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid
CID 12577607
2-(1,1-Dioxothiolan-3-yl)-3-thiophen-3-ylpropanoic acid
CID 61129691
2-(1,1-Dioxothiolan-3-yl)-4-thiophen-3-ylbutanoic acid
CID 64057380
3-Methyl-1-(2-thiophen-3-ylethyl)cyclopentane-1-carboxylic acid
CID 65402318

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid (CID 67484599) is 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid is CS(=O)(=O)c1cc(C2(C(=O)O)CC2C2CCCC2)cs1.
What is the InChIKey of 2-cyclopentyl-1-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is JRPYEDVPYXNDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S2/c1-20(17,18)12-6-10(8-19-12)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-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid?
2-cyclopentyl-1-(5-methylsulfonylthiophen-3-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-(5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67484599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).