2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid

C15H20O4S2 — CID 67484404

IUPAC2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(C2(C(=O)O)CC2C2CCCCC2)s1
InChIInChI=1S/C15H20O4S2/c1-21(18,19)13-8-7-12(20-13)15(14(16)17)9-11(15)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)
InChIKeyKURFMSOTBKYPDF-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.07
Rot. Bonds4

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

2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 67484404) has the molecular formula C15H20O4S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID67484404
Molecular FormulaC15H20O4S2
Molecular Weight328.46 g/mol
Exact Mass328.08
IUPAC Name2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(C2(C(=O)O)CC2C2CCCCC2)s1
InChIInChI=1S/C15H20O4S2/c1-21(18,19)13-8-7-12(20-13)15(14(16)17)9-11(15)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H,16,17)
InChIKeyKURFMSOTBKYPDF-UHFFFAOYSA-N
XLogP3.07
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid (CID 67484404) is 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid is CS(=O)(=O)c1ccc(C2(C(=O)O)CC2C2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is KURFMSOTBKYPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4S2/c1-21(18,19)13-8-7-12(20-13)15(14(16)17)9-11(15)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid?
2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 328.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(5-methylsulfonylthiophen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67484404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).