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

C14H18O4S2 — CID 67484600

IUPAC1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1cc(C2(C(=O)O)CC2)c(C2CCCC2)s1
InChIInChI=1S/C14H18O4S2/c1-20(17,18)11-8-10(14(6-7-14)13(15)16)12(19-11)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyODOSWTWXUZNRKZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.93
Rot. Bonds4

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

1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 67484600) has the molecular formula C14H18O4S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
PubChem CID67484600
Molecular FormulaC14H18O4S2
Molecular Weight314.43 g/mol
Exact Mass314.06
IUPAC Name1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1cc(C2(C(=O)O)CC2)c(C2CCCC2)s1
InChIInChI=1S/C14H18O4S2/c1-20(17,18)11-8-10(14(6-7-14)13(15)16)12(19-11)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyODOSWTWXUZNRKZ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid (CID 67484600) is 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid is CS(=O)(=O)c1cc(C2(C(=O)O)CC2)c(C2CCCC2)s1.
What is the InChIKey of 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ODOSWTWXUZNRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S2/c1-20(17,18)11-8-10(14(6-7-14)13(15)16)12(19-11)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid?
1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 314.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-5-methylsulfonylthiophen-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67484600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).