2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride

C12H14ClN3OS — CID 71645432

IUPAC2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
SMILESCl.O=S(c1cnc2ccccc2n1)[C@@H]1CCNC1
InChIInChI=1S/C12H13N3OS.ClH/c16-17(9-5-6-13-7-9)12-8-14-10-3-1-2-4-11(10)15-12;/h1-4,8-9,13H,5-7H2;1H/t9-,17?;/m1./s1
InChIKeyZIJHODOZSRJNTD-DCPZLFTNSA-N
MW283.78 g/mol
LogP1.52
Rot. Bonds2

About 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride

2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride (PubChem CID 71645432) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
PubChem CID71645432
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
SMILESCl.O=S(c1cnc2ccccc2n1)[C@@H]1CCNC1
InChIInChI=1S/C12H13N3OS.ClH/c16-17(9-5-6-13-7-9)12-8-14-10-3-1-2-4-11(10)15-12;/h1-4,8-9,13H,5-7H2;1H/t9-,17?;/m1./s1
InChIKeyZIJHODOZSRJNTD-DCPZLFTNSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
CID 97166109
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride
CID 71646008
2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-benzothiazole;hydrochloride
CID 71645444
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
2-pyrrolidin-3-ylsulfinyl-1,3-benzothiazole
CID 71646013
2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]-1,3-benzothiazole
CID 97165838
3-(benzenesulfinyl)pyrrolidine
CID 84666467

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride?
The IUPAC name of 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride (CID 71645432) is 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride.
What is the SMILES notation for 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride?
The canonical SMILES for 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride is Cl.O=S(c1cnc2ccccc2n1)[C@@H]1CCNC1.
What is the InChIKey of 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride?
The InChIKey is ZIJHODOZSRJNTD-DCPZLFTNSA-N. The full InChI is InChI=1S/C12H13N3OS.ClH/c16-17(9-5-6-13-7-9)12-8-14-10-3-1-2-4-11(10)15-12;/h1-4,8-9,13H,5-7H2;1H/t9-,17?;/m1./s1.
What are the key properties of 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride?
2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride is sourced from PubChem (CID 71645432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).