2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline

C14H17N3OS — CID 97166442

IUPAC2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
SMILESO=[S@](CC1CCNCC1)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N3OS/c18-19(10-11-5-7-15-8-6-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11,15H,5-8,10H2/t19-/m1/s1
InChIKeyIBKLJVXHBQFQJY-LJQANCHMSA-N
MW275.38 g/mol
LogP1.74
Rot. Bonds3

About 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline

2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline (PubChem CID 97166442) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline.

Molecular Properties

Compound Name2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
PubChem CID97166442
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
SMILESO=[S@](CC1CCNCC1)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N3OS/c18-19(10-11-5-7-15-8-6-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11,15H,5-8,10H2/t19-/m1/s1
InChIKeyIBKLJVXHBQFQJY-LJQANCHMSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
CID 97166212
2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97163529
6-nitro-2-(pyrrolidin-3-ylmethylsulfinyl)quinoxaline
CID 71636236
6-nitro-2-(pyrrolidin-3-ylmethylsulfinyl)quinoxaline;hydrochloride
CID 71636235
5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine
CID 97162928
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
CID 97166109
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441
6-nitro-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]quinoxaline
CID 97178132
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline?
The IUPAC name of 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline (CID 97166442) is 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline.
What is the SMILES notation for 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline?
The canonical SMILES for 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline is O=[S@](CC1CCNCC1)c1cnc2ccccc2n1.
What is the InChIKey of 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline?
The InChIKey is IBKLJVXHBQFQJY-LJQANCHMSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-19(10-11-5-7-15-8-6-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11,15H,5-8,10H2/t19-/m1/s1.
What are the key properties of 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline?
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline has a molecular weight of 275.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline is sourced from PubChem (CID 97166442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).