2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine

C11H14N2S — CID 100707717

IUPAC2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine
SMILESc1cnc(S[C@H]2C[C@H]3CC[C@H]2C3)cn1
InChIInChI=1S/C11H14N2S/c1-2-9-5-8(1)6-10(9)14-11-7-12-3-4-13-11/h3-4,7-10H,1-2,5-6H2/t8-,9-,10-/m0/s1
InChIKeyUHQGBQUSBIUZDW-GUBZILKMSA-N
MW206.31 g/mol
LogP2.76
Rot. Bonds2

About 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine

2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine (PubChem CID 100707717) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine.

Molecular Properties

Compound Name2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine
PubChem CID100707717
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine
SMILESc1cnc(S[C@H]2C[C@H]3CC[C@H]2C3)cn1
InChIInChI=1S/C11H14N2S/c1-2-9-5-8(1)6-10(9)14-11-7-12-3-4-13-11/h3-4,7-10H,1-2,5-6H2/t8-,9-,10-/m0/s1
InChIKeyUHQGBQUSBIUZDW-GUBZILKMSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine?
The IUPAC name of 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine (CID 100707717) is 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine.
What is the SMILES notation for 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine?
The canonical SMILES for 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine is c1cnc(S[C@H]2C[C@H]3CC[C@H]2C3)cn1.
What is the InChIKey of 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine?
The InChIKey is UHQGBQUSBIUZDW-GUBZILKMSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-9-5-8(1)6-10(9)14-11-7-12-3-4-13-11/h3-4,7-10H,1-2,5-6H2/t8-,9-,10-/m0/s1.
What are the key properties of 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine?
2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine has a molecular weight of 206.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine is sourced from PubChem (CID 100707717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).