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

C13H15N3OS — CID 97166109

IUPAC2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
SMILESO=[S@](c1cnc2ccccc2n1)[C@H]1CCCNC1
InChIInChI=1S/C13H15N3OS/c17-18(10-4-3-7-14-8-10)13-9-15-11-5-1-2-6-12(11)16-13/h1-2,5-6,9-10,14H,3-4,7-8H2/t10-,18-/m0/s1
InChIKeyGSIVUIOZMZJKCL-YPMLDQLKSA-N
MW261.35 g/mol
LogP1.49
Rot. Bonds2

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

2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline (PubChem CID 97166109) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline.

Molecular Properties

Compound Name2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
PubChem CID97166109
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
SMILESO=[S@](c1cnc2ccccc2n1)[C@H]1CCCNC1
InChIInChI=1S/C13H15N3OS/c17-18(10-4-3-7-14-8-10)13-9-15-11-5-1-2-6-12(11)16-13/h1-2,5-6,9-10,14H,3-4,7-8H2/t10-,18-/m0/s1
InChIKeyGSIVUIOZMZJKCL-YPMLDQLKSA-N
XLogP1.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.49
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-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
5-methyl-2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97162908
2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]-1,3-benzoxazole
CID 97166130
2-piperidin-3-ylsulfinyl-1,3-benzoxazole
CID 71645989
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride
CID 71645990
2-piperidin-3-ylsulfinylpyrazine;hydrochloride
CID 71645980
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline?
The IUPAC name of 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline (CID 97166109) is 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline.
What is the SMILES notation for 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline?
The canonical SMILES for 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline is O=[S@](c1cnc2ccccc2n1)[C@H]1CCCNC1.
What is the InChIKey of 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline?
The InChIKey is GSIVUIOZMZJKCL-YPMLDQLKSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-18(10-4-3-7-14-8-10)13-9-15-11-5-1-2-6-12(11)16-13/h1-2,5-6,9-10,14H,3-4,7-8H2/t10-,18-/m0/s1.
What are the key properties of 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline?
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline has a molecular weight of 261.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline is sourced from PubChem (CID 97166109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).