2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine

C9H13N3OS — CID 71638192

IUPAC2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
SMILESCc1nccnc1S(=O)[C@@H]1CCNC1
InChIInChI=1S/C9H13N3OS/c1-7-9(12-5-4-11-7)14(13)8-2-3-10-6-8/h4-5,8,10H,2-3,6H2,1H3/t8-,14?/m1/s1
InChIKeyIHDXXSHVTNBVTC-ZSYIFEHUSA-N
MW211.29 g/mol
LogP0.25
Rot. Bonds2

About 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine

2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine (PubChem CID 71638192) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine.

Molecular Properties

Compound Name2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
PubChem CID71638192
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
SMILESCc1nccnc1S(=O)[C@@H]1CCNC1
InChIInChI=1S/C9H13N3OS/c1-7-9(12-5-4-11-7)14(13)8-2-3-10-6-8/h4-5,8,10H,2-3,6H2,1H3/t8-,14?/m1/s1
InChIKeyIHDXXSHVTNBVTC-ZSYIFEHUSA-N
XLogP0.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(R)-piperidin-4-ylsulfinyl]pyrazine
CID 97162706
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
3-nitro-2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine
CID 97177793
3-nitro-2-pyrrolidin-3-ylsulfinylpyridine;hydrochloride
CID 71635648
4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride
CID 170987698
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine?
The IUPAC name of 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine (CID 71638192) is 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine.
What is the SMILES notation for 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine?
The canonical SMILES for 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine is Cc1nccnc1S(=O)[C@@H]1CCNC1.
What is the InChIKey of 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine?
The InChIKey is IHDXXSHVTNBVTC-ZSYIFEHUSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-9(12-5-4-11-7)14(13)8-2-3-10-6-8/h4-5,8,10H,2-3,6H2,1H3/t8-,14?/m1/s1.
What are the key properties of 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine?
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine has a molecular weight of 211.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine is sourced from PubChem (CID 71638192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).