3-(3-phenylcyclopentyl)sulfinylpropanoic acid

C14H18O3S — CID 58466043

IUPAC3-(3-phenylcyclopentyl)sulfinylpropanoic acid
SMILESO=C(O)CCS(=O)C1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18O3S/c15-14(16)8-9-18(17)13-7-6-12(10-13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,16)
InChIKeyIKCCCOCLFLJRJB-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.55
Rot. Bonds5

About 3-(3-phenylcyclopentyl)sulfinylpropanoic acid

3-(3-phenylcyclopentyl)sulfinylpropanoic acid (PubChem CID 58466043) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-(3-phenylcyclopentyl)sulfinylpropanoic acid.

Molecular Properties

Compound Name3-(3-phenylcyclopentyl)sulfinylpropanoic acid
PubChem CID58466043
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name3-(3-phenylcyclopentyl)sulfinylpropanoic acid
SMILESO=C(O)CCS(=O)C1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18O3S/c15-14(16)8-9-18(17)13-7-6-12(10-13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,16)
InChIKeyIKCCCOCLFLJRJB-UHFFFAOYSA-N
XLogP2.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylcyclopentyl)sulfinylpropanoic acid?
The IUPAC name of 3-(3-phenylcyclopentyl)sulfinylpropanoic acid (CID 58466043) is 3-(3-phenylcyclopentyl)sulfinylpropanoic acid.
What is the SMILES notation for 3-(3-phenylcyclopentyl)sulfinylpropanoic acid?
The canonical SMILES for 3-(3-phenylcyclopentyl)sulfinylpropanoic acid is O=C(O)CCS(=O)C1CCC(c2ccccc2)C1.
What is the InChIKey of 3-(3-phenylcyclopentyl)sulfinylpropanoic acid?
The InChIKey is IKCCCOCLFLJRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c15-14(16)8-9-18(17)13-7-6-12(10-13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,16).
What are the key properties of 3-(3-phenylcyclopentyl)sulfinylpropanoic acid?
3-(3-phenylcyclopentyl)sulfinylpropanoic acid has a molecular weight of 266.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylcyclopentyl)sulfinylpropanoic acid is sourced from PubChem (CID 58466043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).