2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline

C14H16ClN3OS — CID 97163529

IUPAC2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
SMILESO=[S@](CC1CCNCC1)c1nc2ccccc2nc1Cl
InChIInChI=1S/C14H16ClN3OS/c15-13-14(18-12-4-2-1-3-11(12)17-13)20(19)9-10-5-7-16-8-6-10/h1-4,10,16H,5-9H2/t20-/m1/s1
InChIKeyFLABPVLUKIVUHA-HXUWFJFHSA-N
MW309.82 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline

2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline (PubChem CID 97163529) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline.

Molecular Properties

Compound Name2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
PubChem CID97163529
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
SMILESO=[S@](CC1CCNCC1)c1nc2ccccc2nc1Cl
InChIInChI=1S/C14H16ClN3OS/c15-13-14(18-12-4-2-1-3-11(12)17-13)20(19)9-10-5-7-16-8-6-10/h1-4,10,16H,5-9H2/t20-/m1/s1
InChIKeyFLABPVLUKIVUHA-HXUWFJFHSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639828
2-chloro-3-(piperidin-4-ylmethoxy)quinoxaline
CID 71640763
tert-butyl 3-[(3-chloroquinoxalin-2-yl)sulfinylmethyl]piperidine-1-carboxylate
CID 71631274
3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine
CID 84704216
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166415
4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
CID 97163199
2-chloro-3-piperidin-4-ylsulfonylquinoxaline
CID 71639759
3-(piperidin-4-ylmethylsulfinyl)phenol
CID 84701440
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363
2-chloro-3-(pyrrolidin-3-ylmethyl)quinoline
CID 116985205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline?
The IUPAC name of 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline (CID 97163529) is 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline.
What is the SMILES notation for 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline?
The canonical SMILES for 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline is O=[S@](CC1CCNCC1)c1nc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline?
The InChIKey is FLABPVLUKIVUHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-13-14(18-12-4-2-1-3-11(12)17-13)20(19)9-10-5-7-16-8-6-10/h1-4,10,16H,5-9H2/t20-/m1/s1.
What are the key properties of 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline?
2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline has a molecular weight of 309.82 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline is sourced from PubChem (CID 97163529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).