methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate

C14H19NO2S — CID 15933310

IUPACmethyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate
SMILESCOC(=O)C(Sc1ccccn1)C1CCCCC1
InChIInChI=1S/C14H19NO2S/c1-17-14(16)13(11-7-3-2-4-8-11)18-12-9-5-6-10-15-12/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKeyVVTBKQVNQMZVQJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.30
Rot. Bonds4

About methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate

methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate (PubChem CID 15933310) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate
PubChem CID15933310
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Namemethyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate
SMILESCOC(=O)C(Sc1ccccn1)C1CCCCC1
InChIInChI=1S/C14H19NO2S/c1-17-14(16)13(11-7-3-2-4-8-11)18-12-9-5-6-10-15-12/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKeyVVTBKQVNQMZVQJ-UHFFFAOYSA-N
XLogP3.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-cyclohexyl-2-pyridin-2-ylsulfanylpropanoate
CID 15305076
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
(1S,2S)-2-tert-butylsulfanyl-1-cyclohexyl-2-pyridin-2-ylsulfanylethanol
CID 134930390
methyl 3-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-pyridin-2-ylsulfanylpropanoate
CID 10968285
S-pyridin-2-yl cyclohexanecarbothioate
CID 12531414
methyl 2-bromo-3-pyridin-2-ylsulfanylpropanoate
CID 81091172
N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide
CID 3954885
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide
CID 129099202
N-cyclohexylpyridin-2-amine;methanamine
CID 143850003
methyl 3-cyclopentyl-2-[4-(2-pyridin-2-ylethynyl)phenyl]propanoate
CID 67483982

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate?
The IUPAC name of methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate (CID 15933310) is methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate?
The canonical SMILES for methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate is COC(=O)C(Sc1ccccn1)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate?
The InChIKey is VVTBKQVNQMZVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-17-14(16)13(11-7-3-2-4-8-11)18-12-9-5-6-10-15-12/h5-6,9-11,13H,2-4,7-8H2,1H3.
What are the key properties of methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate?
methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate has a molecular weight of 265.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-pyridin-2-ylsulfanylacetate is sourced from PubChem (CID 15933310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).