trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol

C10H13NOS — CID 102735784

IUPACtrans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Sc1ccncc1
InChIInChI=1S/C10H13NOS/c12-9-2-1-3-10(9)13-8-4-6-11-7-5-8/h4-7,9-10,12H,1-3H2/t9-,10-/m0/s1
InChIKeyFPVKXTJXEPZIQG-UWVGGRQHSA-N
MW195.29 g/mol
LogP2.09
Rot. Bonds2

About trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol

trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol (PubChem CID 102735784) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol
PubChem CID102735784
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Nametrans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Sc1ccncc1
InChIInChI=1S/C10H13NOS/c12-9-2-1-3-10(9)13-8-4-6-11-7-5-8/h4-7,9-10,12H,1-3H2/t9-,10-/m0/s1
InChIKeyFPVKXTJXEPZIQG-UWVGGRQHSA-N
XLogP2.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol
CID 67808462
trans-(1R,2R)-2-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-ol
CID 102735746
4-(2-hydroxycyclohexyl)sulfanylpyridine-2-carboxylic acid
CID 79553888
N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
CID 60713577
cis-(1S,2R)-2-(4-tert-butylphenyl)sulfanylcycloheptan-1-ol
CID 67839254
3-[(1R,2R)-2-hydroxycyclopentyl]sulfanylphenol
CID 102735808
2-(3-methylphenyl)sulfanylcyclopentan-1-ol
CID 61244535
trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol
CID 102735696
2-pyridin-2-ylsulfanylcyclohexan-1-ol
CID 13434052
trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
CID 12791403
trans-(1S,2S)-2-(3-bromophenyl)sulfanylcyclohexan-1-ol
CID 67808949
trans-(1S,2S)-2-(3-methylphenyl)sulfanylcyclohexan-1-ol
CID 102732787

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol (CID 102735784) is trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol is O[C@H]1CCC[C@@H]1Sc1ccncc1.
What is the InChIKey of trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol?
The InChIKey is FPVKXTJXEPZIQG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H13NOS/c12-9-2-1-3-10(9)13-8-4-6-11-7-5-8/h4-7,9-10,12H,1-3H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol?
trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol has a molecular weight of 195.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol is sourced from PubChem (CID 102735784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).