pyrazin-2-ylsulfonylmethanol

C5H6N2O3S — CID 58327642

IUPACpyrazin-2-ylsulfonylmethanol
SMILESO=S(=O)(CO)c1cnccn1
InChIInChI=1S/C5H6N2O3S/c8-4-11(9,10)5-3-6-1-2-7-5/h1-3,8H,4H2
InChIKeyFMYABBALJNKWEX-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.80
Rot. Bonds2

About pyrazin-2-ylsulfonylmethanol

pyrazin-2-ylsulfonylmethanol (PubChem CID 58327642) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is pyrazin-2-ylsulfonylmethanol.

Molecular Properties

Compound Namepyrazin-2-ylsulfonylmethanol
PubChem CID58327642
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Namepyrazin-2-ylsulfonylmethanol
SMILESO=S(=O)(CO)c1cnccn1
InChIInChI=1S/C5H6N2O3S/c8-4-11(9,10)5-3-6-1-2-7-5/h1-3,8H,4H2
InChIKeyFMYABBALJNKWEX-UHFFFAOYSA-N
XLogP-0.80
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylsulfonylmethanol?
The IUPAC name of pyrazin-2-ylsulfonylmethanol (CID 58327642) is pyrazin-2-ylsulfonylmethanol.
What is the SMILES notation for pyrazin-2-ylsulfonylmethanol?
The canonical SMILES for pyrazin-2-ylsulfonylmethanol is O=S(=O)(CO)c1cnccn1.
What is the InChIKey of pyrazin-2-ylsulfonylmethanol?
The InChIKey is FMYABBALJNKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c8-4-11(9,10)5-3-6-1-2-7-5/h1-3,8H,4H2.
What are the key properties of pyrazin-2-ylsulfonylmethanol?
pyrazin-2-ylsulfonylmethanol has a molecular weight of 174.18 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylsulfonylmethanol is sourced from PubChem (CID 58327642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).