trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol

C12H16OS — CID 14194460

IUPACtrans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1SCc1ccccc1
InChIInChI=1S/C12H16OS/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12-/m1/s1
InChIKeyWMQHWTMFYSWGJK-VXGBXAGGSA-N
MW208.33 g/mol
LogP2.83
Rot. Bonds3

About trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol

trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol (PubChem CID 14194460) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol
PubChem CID14194460
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Nametrans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1SCc1ccccc1
InChIInChI=1S/C12H16OS/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12-/m1/s1
InChIKeyWMQHWTMFYSWGJK-VXGBXAGGSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol 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 trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol (CID 14194460) is trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol is O[C@@H]1CCC[C@H]1SCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol?
The InChIKey is WMQHWTMFYSWGJK-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16OS/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol?
trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol has a molecular weight of 208.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol is sourced from PubChem (CID 14194460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).