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

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Related Compounds

2-benzylsulfanylcyclopentane-1-carboxylic acid
CID 56618093
2-benzylsulfanylcyclohexane-1-carbonitrile
CID 43292997
trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
CID 102735724
cis-methyl (1R,2R)-2-benzylsulfanylcyclohexane-1-carboxylate
CID 11651860
2-benzylsulfanylcyclobutane-1-carboxylic acid
CID 80997003
cyclopropylsulfanylmethylbenzene
CID 12820210
2-benzylsulfanyl-N-ethylcyclohexan-1-amine
CID 64621977
2-benzylsulfanyl-N-ethylcyclooctan-1-amine
CID 64620030
5-[(1R,2R)-2-benzylsulfanylcyclopentyl]oxy-5-oxopentanoic acid
CID 164574073
cyclohex-2-en-1-ylsulfanylmethylbenzene
CID 13380558
(2-hydroxycyclohexyl) N-benzylcarbamodithioate
CID 71421723
2-(2-hydroxyethylsulfanyl)cyclopentan-1-ol
CID 60884188

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).