2-pyrazin-2-ylsulfanylcyclopentan-1-ol

C9H12N2OS — CID 63380717

IUPAC2-pyrazin-2-ylsulfanylcyclopentan-1-ol
SMILESOC1CCCC1Sc1cnccn1
InChIInChI=1S/C9H12N2OS/c12-7-2-1-3-8(7)13-9-6-10-4-5-11-9/h4-8,12H,1-3H2
InChIKeyVJLBVNUKZASOEU-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.48
Rot. Bonds2

About 2-pyrazin-2-ylsulfanylcyclopentan-1-ol

2-pyrazin-2-ylsulfanylcyclopentan-1-ol (PubChem CID 63380717) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfanylcyclopentan-1-ol.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfanylcyclopentan-1-ol
PubChem CID63380717
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-pyrazin-2-ylsulfanylcyclopentan-1-ol
SMILESOC1CCCC1Sc1cnccn1
InChIInChI=1S/C9H12N2OS/c12-7-2-1-3-8(7)13-9-6-10-4-5-11-9/h4-8,12H,1-3H2
InChIKeyVJLBVNUKZASOEU-UHFFFAOYSA-N
XLogP1.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfanylcyclopentan-1-ol?
The IUPAC name of 2-pyrazin-2-ylsulfanylcyclopentan-1-ol (CID 63380717) is 2-pyrazin-2-ylsulfanylcyclopentan-1-ol.
What is the SMILES notation for 2-pyrazin-2-ylsulfanylcyclopentan-1-ol?
The canonical SMILES for 2-pyrazin-2-ylsulfanylcyclopentan-1-ol is OC1CCCC1Sc1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylsulfanylcyclopentan-1-ol?
The InChIKey is VJLBVNUKZASOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-7-2-1-3-8(7)13-9-6-10-4-5-11-9/h4-8,12H,1-3H2.
What are the key properties of 2-pyrazin-2-ylsulfanylcyclopentan-1-ol?
2-pyrazin-2-ylsulfanylcyclopentan-1-ol has a molecular weight of 196.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfanylcyclopentan-1-ol is sourced from PubChem (CID 63380717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).