2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol

C13H20N2O2S — CID 113421542

IUPAC2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol
SMILESCOc1nccnc1C(O)CSC1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-17-13-12(14-7-8-15-13)11(16)9-18-10-5-3-2-4-6-10/h7-8,10-11,16H,2-6,9H2,1H3
InChIKeyODRQWEXUJPWWKD-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol

2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol (PubChem CID 113421542) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol
PubChem CID113421542
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol
SMILESCOc1nccnc1C(O)CSC1CCCCC1
InChIInChI=1S/C13H20N2O2S/c1-17-13-12(14-7-8-15-13)11(16)9-18-10-5-3-2-4-6-10/h7-8,10-11,16H,2-6,9H2,1H3
InChIKeyODRQWEXUJPWWKD-UHFFFAOYSA-N
XLogP2.58
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
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1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706
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CID 105123869
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
CID 115831089
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104516709
(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934
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CID 82770118

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol (CID 113421542) is 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol is COc1nccnc1C(O)CSC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol?
The InChIKey is ODRQWEXUJPWWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-13-12(14-7-8-15-13)11(16)9-18-10-5-3-2-4-6-10/h7-8,10-11,16H,2-6,9H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol?
2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol has a molecular weight of 268.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol is sourced from PubChem (CID 113421542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).