2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride

C9H14ClN3OS — CID 71646173

IUPAC2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
SMILESCl.O=S(CC1CCNC1)c1cnccn1
InChIInChI=1S/C9H13N3OS.ClH/c13-14(7-8-1-2-10-5-8)9-6-11-3-4-12-9;/h3-4,6,8,10H,1-2,5,7H2;1H
InChIKeyWZKNRTCWWDJIGI-UHFFFAOYSA-N
MW247.75 g/mol
LogP0.62
Rot. Bonds3

About 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride

2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride (PubChem CID 71646173) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
PubChem CID71646173
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
SMILESCl.O=S(CC1CCNC1)c1cnccn1
InChIInChI=1S/C9H13N3OS.ClH/c13-14(7-8-1-2-10-5-8)9-6-11-3-4-12-9;/h3-4,6,8,10H,1-2,5,7H2;1H
InChIKeyWZKNRTCWWDJIGI-UHFFFAOYSA-N
XLogP0.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 50.62
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-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97166321
4-chloro-6-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97164027
2-piperidin-3-ylsulfinylpyrazine;hydrochloride
CID 71645980
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride?
The IUPAC name of 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride (CID 71646173) is 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride?
The canonical SMILES for 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride is Cl.O=S(CC1CCNC1)c1cnccn1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride?
The InChIKey is WZKNRTCWWDJIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS.ClH/c13-14(7-8-1-2-10-5-8)9-6-11-3-4-12-9;/h3-4,6,8,10H,1-2,5,7H2;1H.
What are the key properties of 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride?
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride is sourced from PubChem (CID 71646173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).