2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride

C8H12ClN3O2S — CID 71645544

IUPAC2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride
SMILESCl.O=S(=O)(c1cnccn1)C1CCNC1
InChIInChI=1S/C8H11N3O2S.ClH/c12-14(13,7-1-2-9-5-7)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H
InChIKeyHZFXMLAWQHCFBE-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.03
Rot. Bonds2

About 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride

2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride (PubChem CID 71645544) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride
PubChem CID71645544
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride
SMILESCl.O=S(=O)(c1cnccn1)C1CCNC1
InChIInChI=1S/C8H11N3O2S.ClH/c12-14(13,7-1-2-9-5-7)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H
InChIKeyHZFXMLAWQHCFBE-UHFFFAOYSA-N
XLogP0.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71640189
2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
CID 71636402
1-pyrazin-2-yl-N-pyrrolidin-3-ylethanesulfonamide;hydrochloride
CID 71637485
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
CID 97165864
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71640088
5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71643530
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71638314

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride (CID 71645544) is 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride is Cl.O=S(=O)(c1cnccn1)C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride?
The InChIKey is HZFXMLAWQHCFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S.ClH/c12-14(13,7-1-2-9-5-7)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H.
What are the key properties of 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride?
2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride has a molecular weight of 249.72 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride is sourced from PubChem (CID 71645544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).