2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine

C10H15N3OS — CID 71638208

IUPAC2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
SMILESCc1nccnc1S(=O)CC1CCNC1
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
InChIKeyPHSHGSXJIHEOIW-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.50
Rot. Bonds3

About 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine

2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine (PubChem CID 71638208) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine.

Molecular Properties

Compound Name2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
PubChem CID71638208
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
SMILESCc1nccnc1S(=O)CC1CCNC1
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
InChIKeyPHSHGSXJIHEOIW-UHFFFAOYSA-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

Analyze 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
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-(pyrrolidin-3-ylmethylsulfinyl)pyrazine?
The IUPAC name of 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine (CID 71638208) is 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine.
What is the SMILES notation for 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine?
The canonical SMILES for 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine is Cc1nccnc1S(=O)CC1CCNC1.
What is the InChIKey of 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine?
The InChIKey is PHSHGSXJIHEOIW-UHFFFAOYSA-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.
What are the key properties of 2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine?
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)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-(pyrrolidin-3-ylmethylsulfinyl)pyrazine is sourced from PubChem (CID 71638208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).