2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine

C10H15N3OS — CID 97162722

IUPAC2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
SMILESCc1nccnc1[S@](=O)C[C@H]1CCNC1
InChIInChI=1S/C10H15N3OS/c1-8-10(13-5-4-12-8)15(14)7-9-2-3-11-6-9/h4-5,9,11H,2-3,6-7H2,1H3/t9-,15+/m0/s1
InChIKeyPHSHGSXJIHEOIW-BJOHPYRUSA-N
MW225.32 g/mol
LogP0.50
Rot. Bonds3

About 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine

2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine (PubChem CID 97162722) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
PubChem CID97162722
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
SMILESCc1nccnc1[S@](=O)C[C@H]1CCNC1
InChIInChI=1S/C10H15N3OS/c1-8-10(13-5-4-12-8)15(14)7-9-2-3-11-6-9/h4-5,9,11H,2-3,6-7H2,1H3/t9-,15+/m0/s1
InChIKeyPHSHGSXJIHEOIW-BJOHPYRUSA-N
XLogP0.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379
2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine
CID 97162706
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
N,3-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642284
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
4-chloro-6-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97164027
3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
CID 112741739
tert-butyl 4-[(3-methylpyrazin-2-yl)sulfinylmethyl]piperidine-1-carboxylate
CID 71634237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine?
The IUPAC name of 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine (CID 97162722) is 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine.
What is the SMILES notation for 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine?
The canonical SMILES for 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine is Cc1nccnc1[S@](=O)C[C@H]1CCNC1.
What is the InChIKey of 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine?
The InChIKey is PHSHGSXJIHEOIW-BJOHPYRUSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-10(13-5-4-12-8)15(14)7-9-2-3-11-6-9/h4-5,9,11H,2-3,6-7H2,1H3/t9-,15+/m0/s1.
What are the key properties of 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine?
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine has a molecular weight of 225.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine is sourced from PubChem (CID 97162722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).