(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol

C11H16N2O3S — CID 105123492

IUPAC(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol
SMILESCOc1cnc(C(O)C2CCSC2)c(OC)n1
InChIInChI=1S/C11H16N2O3S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-3-4-17-6-7/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeyIGKGVQZFGPZRHI-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.28
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol

(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol (PubChem CID 105123492) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol
PubChem CID105123492
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol
SMILESCOc1cnc(C(O)C2CCSC2)c(OC)n1
InChIInChI=1S/C11H16N2O3S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-3-4-17-6-7/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeyIGKGVQZFGPZRHI-UHFFFAOYSA-N
XLogP1.28
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol
CID 113404119
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
CID 105126328
(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol
CID 115830736
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 105031029
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
(3,5-dimethoxypyrazin-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105123476
(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753341

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol (CID 105123492) is (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol is COc1cnc(C(O)C2CCSC2)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol?
The InChIKey is IGKGVQZFGPZRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-3-4-17-6-7/h5,7,10,14H,3-4,6H2,1-2H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol?
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol has a molecular weight of 256.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanol is sourced from PubChem (CID 105123492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).