2-[(2-methylcyclohexyl)disulfanyl]pyridine

C12H17NS2 — CID 155476291

IUPAC2-[(2-methylcyclohexyl)disulfanyl]pyridine
SMILESCC1CCCCC1SSc1ccccn1
InChIInChI=1S/C12H17NS2/c1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13-12/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyILBIDHXNBNMMCN-UHFFFAOYSA-N
MW239.41 g/mol
LogP4.40
Rot. Bonds3

About 2-[(2-methylcyclohexyl)disulfanyl]pyridine

2-[(2-methylcyclohexyl)disulfanyl]pyridine (PubChem CID 155476291) has the molecular formula C12H17NS2 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)disulfanyl]pyridine.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)disulfanyl]pyridine
PubChem CID155476291
Molecular FormulaC12H17NS2
Molecular Weight239.41 g/mol
Exact Mass239.08
IUPAC Name2-[(2-methylcyclohexyl)disulfanyl]pyridine
SMILESCC1CCCCC1SSc1ccccn1
InChIInChI=1S/C12H17NS2/c1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13-12/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyILBIDHXNBNMMCN-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol
CID 168894711
[(1R,2R)-2-(pyridin-2-yldisulfanyl)cycloheptyl] hydrogen carbonate
CID 172715272
2-pyridin-2-ylsulfanylcyclohexan-1-ol
CID 13434052
4-methyl-3-pyridin-2-ylsulfanylcyclohexan-1-one
CID 165497200
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
(2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid
CID 87998670
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496
2-(pyridin-2-ylhexasulfanyl)pyridine
CID 87930543
(4-nitrophenyl) [(1S,2S)-2-(pyridin-2-yldisulfanyl)cycloheptyl] carbonate
CID 155484727
2-(methyltrisulfanyl)pyridine
CID 123388448
N-(2-methylcyclohexyl)pyridin-2-amine
CID 43079705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)disulfanyl]pyridine?
The IUPAC name of 2-[(2-methylcyclohexyl)disulfanyl]pyridine (CID 155476291) is 2-[(2-methylcyclohexyl)disulfanyl]pyridine.
What is the SMILES notation for 2-[(2-methylcyclohexyl)disulfanyl]pyridine?
The canonical SMILES for 2-[(2-methylcyclohexyl)disulfanyl]pyridine is CC1CCCCC1SSc1ccccn1.
What is the InChIKey of 2-[(2-methylcyclohexyl)disulfanyl]pyridine?
The InChIKey is ILBIDHXNBNMMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS2/c1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13-12/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of 2-[(2-methylcyclohexyl)disulfanyl]pyridine?
2-[(2-methylcyclohexyl)disulfanyl]pyridine has a molecular weight of 239.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)disulfanyl]pyridine is sourced from PubChem (CID 155476291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).