2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline

C12H13N3OS — CID 97165847

IUPAC2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
SMILESO=[S@](c1cnc2ccccc2n1)[C@H]1CCNC1
InChIInChI=1S/C12H13N3OS/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/t9-,17-/m0/s1
InChIKeyZVKQGLRLHYVDTR-XYZCENFISA-N
MW247.32 g/mol
LogP1.10
Rot. Bonds2

About 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline

2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline (PubChem CID 97165847) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline.

Molecular Properties

Compound Name2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
PubChem CID97165847
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
SMILESO=[S@](c1cnc2ccccc2n1)[C@H]1CCNC1
InChIInChI=1S/C12H13N3OS/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/t9-,17-/m0/s1
InChIKeyZVKQGLRLHYVDTR-XYZCENFISA-N
XLogP1.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
CID 97166109
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride
CID 71646008
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline?
The IUPAC name of 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline (CID 97165847) is 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline.
What is the SMILES notation for 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline?
The canonical SMILES for 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline is O=[S@](c1cnc2ccccc2n1)[C@H]1CCNC1.
What is the InChIKey of 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline?
The InChIKey is ZVKQGLRLHYVDTR-XYZCENFISA-N. The full InChI is InChI=1S/C12H13N3OS/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/t9-,17-/m0/s1.
What are the key properties of 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline?
2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline has a molecular weight of 247.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline is sourced from PubChem (CID 97165847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).