1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene

C12H14OS — CID 11074563

IUPAC1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene
SMILESCc1ccc([S@](=O)C2=CCCC2)cc1
InChIInChI=1S/C12H14OS/c1-10-6-8-12(9-7-10)14(13)11-4-2-3-5-11/h4,6-9H,2-3,5H2,1H3/t14-/m1/s1
InChIKeyDNQRYSDJBITKED-CQSZACIVSA-N
MW206.31 g/mol
LogP3.17
Rot. Bonds2

About 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene

1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene (PubChem CID 11074563) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene
PubChem CID11074563
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene
SMILESCc1ccc([S@](=O)C2=CCCC2)cc1
InChIInChI=1S/C12H14OS/c1-10-6-8-12(9-7-10)14(13)11-4-2-3-5-11/h4,6-9H,2-3,5H2,1H3/t14-/m1/s1
InChIKeyDNQRYSDJBITKED-CQSZACIVSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene?
The IUPAC name of 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene (CID 11074563) is 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene.
What is the SMILES notation for 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene?
The canonical SMILES for 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene is Cc1ccc([S@](=O)C2=CCCC2)cc1.
What is the InChIKey of 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene?
The InChIKey is DNQRYSDJBITKED-CQSZACIVSA-N. The full InChI is InChI=1S/C12H14OS/c1-10-6-8-12(9-7-10)14(13)11-4-2-3-5-11/h4,6-9H,2-3,5H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene?
1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene has a molecular weight of 206.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene is sourced from PubChem (CID 11074563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).