trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol

C13H18OS — CID 102735724

IUPACtrans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
SMILESCc1ccccc1CS[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H18OS/c1-10-5-2-3-6-11(10)9-15-13-8-4-7-12(13)14/h2-3,5-6,12-14H,4,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyIJFNEPOLXCNPAQ-STQMWFEESA-N
MW222.35 g/mol
LogP3.14
Rot. Bonds3

About trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol

trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol (PubChem CID 102735724) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
PubChem CID102735724
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Nametrans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
SMILESCc1ccccc1CS[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H18OS/c1-10-5-2-3-6-11(10)9-15-13-8-4-7-12(13)14/h2-3,5-6,12-14H,4,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyIJFNEPOLXCNPAQ-STQMWFEESA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]cycloheptane-1-carbonitrile
CID 62769994
trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol
CID 14194460
3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64722212
N-methyl-3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64722213
2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 79841962
N-methyl-3-[(2-methylphenyl)methylsulfanyl]oxan-4-amine
CID 64634212
trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
CID 79863622
4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420555
N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634391
N-(cyclopropylmethyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 62770210
[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
CID 79640204

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol (CID 102735724) is trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol is Cc1ccccc1CS[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol?
The InChIKey is IJFNEPOLXCNPAQ-STQMWFEESA-N. The full InChI is InChI=1S/C13H18OS/c1-10-5-2-3-6-11(10)9-15-13-8-4-7-12(13)14/h2-3,5-6,12-14H,4,7-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol?
trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol is sourced from PubChem (CID 102735724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).