2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline

C14H17N3OS — CID 97166212

IUPAC2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
SMILESO=[S@](C[C@H]1CCCCN1)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N3OS/c18-19(10-11-5-3-4-8-15-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-2,6-7,9,11,15H,3-5,8,10H2/t11-,19-/m1/s1
InChIKeyWPXGTGJTWVGWON-NSPYISDASA-N
MW275.38 g/mol
LogP1.88
Rot. Bonds3

About 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline

2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline (PubChem CID 97166212) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline.

Molecular Properties

Compound Name2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
PubChem CID97166212
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
SMILESO=[S@](C[C@H]1CCCCN1)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N3OS/c18-19(10-11-5-3-4-8-15-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-2,6-7,9,11,15H,3-5,8,10H2/t11-,19-/m1/s1
InChIKeyWPXGTGJTWVGWON-NSPYISDASA-N
XLogP1.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
6-nitro-2-[(R)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]quinoxaline
CID 97178131
2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97178213
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinoxalin-2-amine
CID 106641225
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1H-benzimidazole
CID 97166285
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166293
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine
CID 71636432
2-chloro-4-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyrimidine
CID 97163785

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline?
The IUPAC name of 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline (CID 97166212) is 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline.
What is the SMILES notation for 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline?
The canonical SMILES for 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline is O=[S@](C[C@H]1CCCCN1)c1cnc2ccccc2n1.
What is the InChIKey of 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline?
The InChIKey is WPXGTGJTWVGWON-NSPYISDASA-N. The full InChI is InChI=1S/C14H17N3OS/c18-19(10-11-5-3-4-8-15-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-2,6-7,9,11,15H,3-5,8,10H2/t11-,19-/m1/s1.
What are the key properties of 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline?
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline has a molecular weight of 275.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline is sourced from PubChem (CID 97166212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).