2-piperidin-3-ylsulfinylpyrazine;hydrochloride

C9H14ClN3OS — CID 71645980

IUPAC2-piperidin-3-ylsulfinylpyrazine;hydrochloride
SMILESCl.O=S(c1cnccn1)C1CCCNC1
InChIInChI=1S/C9H13N3OS.ClH/c13-14(8-2-1-3-10-6-8)9-7-11-4-5-12-9;/h4-5,7-8,10H,1-3,6H2;1H
InChIKeyKXWJJEAGQBKBAX-UHFFFAOYSA-N
MW247.75 g/mol
LogP0.76
Rot. Bonds2

About 2-piperidin-3-ylsulfinylpyrazine;hydrochloride

2-piperidin-3-ylsulfinylpyrazine;hydrochloride (PubChem CID 71645980) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfinylpyrazine;hydrochloride.

Molecular Properties

Compound Name2-piperidin-3-ylsulfinylpyrazine;hydrochloride
PubChem CID71645980
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-piperidin-3-ylsulfinylpyrazine;hydrochloride
SMILESCl.O=S(c1cnccn1)C1CCCNC1
InChIInChI=1S/C9H13N3OS.ClH/c13-14(8-2-1-3-10-6-8)9-7-11-4-5-12-9;/h4-5,7-8,10H,1-3,6H2;1H
InChIKeyKXWJJEAGQBKBAX-UHFFFAOYSA-N
XLogP0.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 50.76
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-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
5-methyl-2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97162908
4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
CID 97166103
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
CID 97166109
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
CID 97166120
4-methyl-2-piperidin-3-ylsulfinylpyrimidine
CID 71638991

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfinylpyrazine;hydrochloride?
The IUPAC name of 2-piperidin-3-ylsulfinylpyrazine;hydrochloride (CID 71645980) is 2-piperidin-3-ylsulfinylpyrazine;hydrochloride.
What is the SMILES notation for 2-piperidin-3-ylsulfinylpyrazine;hydrochloride?
The canonical SMILES for 2-piperidin-3-ylsulfinylpyrazine;hydrochloride is Cl.O=S(c1cnccn1)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylsulfinylpyrazine;hydrochloride?
The InChIKey is KXWJJEAGQBKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS.ClH/c13-14(8-2-1-3-10-6-8)9-7-11-4-5-12-9;/h4-5,7-8,10H,1-3,6H2;1H.
What are the key properties of 2-piperidin-3-ylsulfinylpyrazine;hydrochloride?
2-piperidin-3-ylsulfinylpyrazine;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfinylpyrazine;hydrochloride is sourced from PubChem (CID 71645980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).