2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride

C8H12ClN3OS — CID 170987689

IUPAC2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
SMILESCl.O=[S@@](c1cnccn1)[C@H]1CCNC1
InChIInChI=1S/C8H11N3OS.ClH/c12-13(7-1-2-9-5-7)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H/t7-,13+;/m0./s1
InChIKeyFQFOHYATWCIJTK-FIGVOSPWSA-N
MW233.72 g/mol
LogP0.37
Rot. Bonds2

About 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride

2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride (PubChem CID 170987689) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
PubChem CID170987689
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
SMILESCl.O=[S@@](c1cnccn1)[C@H]1CCNC1
InChIInChI=1S/C8H11N3OS.ClH/c12-13(7-1-2-9-5-7)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H/t7-,13+;/m0./s1
InChIKeyFQFOHYATWCIJTK-FIGVOSPWSA-N
XLogP0.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-piperidin-3-ylsulfinylpyrazine;hydrochloride
CID 71645980
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
2-[(3S)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
CID 71645460
2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
CID 71645438
2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97163703

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride?
The IUPAC name of 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride (CID 170987689) is 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride.
What is the SMILES notation for 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride?
The canonical SMILES for 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride is Cl.O=[S@@](c1cnccn1)[C@H]1CCNC1.
What is the InChIKey of 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride?
The InChIKey is FQFOHYATWCIJTK-FIGVOSPWSA-N. The full InChI is InChI=1S/C8H11N3OS.ClH/c12-13(7-1-2-9-5-7)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H/t7-,13+;/m0./s1.
What are the key properties of 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride?
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride is sourced from PubChem (CID 170987689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).