trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol

C11H14BrNOS — CID 102732838

IUPACtrans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Sc1ncccc1Br
InChIInChI=1S/C11H14BrNOS/c12-8-4-3-7-13-11(8)15-10-6-2-1-5-9(10)14/h3-4,7,9-10,14H,1-2,5-6H2/t9-,10-/m1/s1
InChIKeyGOZLNXHPAYSNQN-NXEZZACHSA-N
MW288.21 g/mol
LogP3.24
Rot. Bonds2

About trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol

trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol (PubChem CID 102732838) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol
PubChem CID102732838
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Nametrans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Sc1ncccc1Br
InChIInChI=1S/C11H14BrNOS/c12-8-4-3-7-13-11(8)15-10-6-2-1-5-9(10)14/h3-4,7,9-10,14H,1-2,5-6H2/t9-,10-/m1/s1
InChIKeyGOZLNXHPAYSNQN-NXEZZACHSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol
CID 60883980
2-[(3-bromo-2-pyridinyl)sulfanyl]cyclobutane-1-carboxylic acid
CID 80996905
2-pyridin-2-ylsulfanylcyclohexan-1-ol
CID 13434052
4-[(3-bromo-2-pyridinyl)sulfanyl]piperidine-1-carboxylic acid
CID 90319849
3-[(3-bromo-2-pyridinyl)sulfanyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79656899
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-tert-butyl-N-ethylcyclohexan-1-amine
CID 64631848
trans-(1S,2S)-2-pyridin-4-ylsulfanylcyclopentan-1-ol
CID 102735784
2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623517
trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol
CID 102735696
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592
3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
CID 130835217
tert-butyl 3-[(3-bromo-2-pyridinyl)sulfanyl]pyrrolidine-1-carboxylate
CID 90314813

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol (CID 102732838) is trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Sc1ncccc1Br.
What is the InChIKey of trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol?
The InChIKey is GOZLNXHPAYSNQN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-8-4-3-7-13-11(8)15-10-6-2-1-5-9(10)14/h3-4,7,9-10,14H,1-2,5-6H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol?
trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol has a molecular weight of 288.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)sulfanyl]cyclohexan-1-ol is sourced from PubChem (CID 102732838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).