2-pyrazin-2-ylsulfanylcyclohexan-1-ol

C10H14N2OS — CID 63380718

IUPAC2-pyrazin-2-ylsulfanylcyclohexan-1-ol
SMILESOC1CCCCC1Sc1cnccn1
InChIInChI=1S/C10H14N2OS/c13-8-3-1-2-4-9(8)14-10-7-11-5-6-12-10/h5-9,13H,1-4H2
InChIKeyQNKJODBKNAAJPT-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.87
Rot. Bonds2

About 2-pyrazin-2-ylsulfanylcyclohexan-1-ol

2-pyrazin-2-ylsulfanylcyclohexan-1-ol (PubChem CID 63380718) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfanylcyclohexan-1-ol
PubChem CID63380718
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-pyrazin-2-ylsulfanylcyclohexan-1-ol
SMILESOC1CCCCC1Sc1cnccn1
InChIInChI=1S/C10H14N2OS/c13-8-3-1-2-4-9(8)14-10-7-11-5-6-12-10/h5-9,13H,1-4H2
InChIKeyQNKJODBKNAAJPT-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfanylcyclohexan-1-ol?
The IUPAC name of 2-pyrazin-2-ylsulfanylcyclohexan-1-ol (CID 63380718) is 2-pyrazin-2-ylsulfanylcyclohexan-1-ol.
What is the SMILES notation for 2-pyrazin-2-ylsulfanylcyclohexan-1-ol?
The canonical SMILES for 2-pyrazin-2-ylsulfanylcyclohexan-1-ol is OC1CCCCC1Sc1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylsulfanylcyclohexan-1-ol?
The InChIKey is QNKJODBKNAAJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-8-3-1-2-4-9(8)14-10-7-11-5-6-12-10/h5-9,13H,1-4H2.
What are the key properties of 2-pyrazin-2-ylsulfanylcyclohexan-1-ol?
2-pyrazin-2-ylsulfanylcyclohexan-1-ol has a molecular weight of 210.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 63380718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).