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

C11H18N2O2S — CID 104515130

IUPAC1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCOc1nccnc1C(O)CSCC(C)C
InChIInChI=1S/C11H18N2O2S/c1-8(2)6-16-7-9(14)10-11(15-3)13-5-4-12-10/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyMLHNDURTLRQGJJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.91
Rot. Bonds6

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

1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol (PubChem CID 104515130) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol
PubChem CID104515130
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCOc1nccnc1C(O)CSCC(C)C
InChIInChI=1S/C11H18N2O2S/c1-8(2)6-16-7-9(14)10-11(15-3)13-5-4-12-10/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyMLHNDURTLRQGJJ-UHFFFAOYSA-N
XLogP1.91
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105123869
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol
CID 113421542
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
CID 115831089
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104516709
1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
1-(3-methoxypyrazin-2-yl)-2-(3-methylphenyl)ethanol
CID 113421532
3-(3-methoxypyrazin-2-yl)butanoic acid
CID 104516745
(3-methoxypyrazin-2-yl)-(4-propan-2-ylphenyl)methanol
CID 104514527
[2-butan-2-ylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]hydrazine
CID 105227195
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol (CID 104515130) is 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol is COc1nccnc1C(O)CSCC(C)C.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The InChIKey is MLHNDURTLRQGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(2)6-16-7-9(14)10-11(15-3)13-5-4-12-10/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol has a molecular weight of 242.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol is sourced from PubChem (CID 104515130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).