2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline

C14H17N3S — CID 97178445

IUPAC2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline
SMILESc1ccc2nc(SC[C@@H]3CCCNC3)cnc2c1
InChIInChI=1S/C14H17N3S/c1-2-6-13-12(5-1)16-9-14(17-13)18-10-11-4-3-7-15-8-11/h1-2,5-6,9,11,15H,3-4,7-8,10H2/t11-/m1/s1
InChIKeyURAWUFACESGHNV-LLVKDONJSA-N
MW259.38 g/mol
LogP2.72
Rot. Bonds3

About 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline

2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline (PubChem CID 97178445) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline.

Molecular Properties

Compound Name2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline
PubChem CID97178445
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline
SMILESc1ccc2nc(SC[C@@H]3CCCNC3)cnc2c1
InChIInChI=1S/C14H17N3S/c1-2-6-13-12(5-1)16-9-14(17-13)18-10-11-4-3-7-15-8-11/h1-2,5-6,9,11,15H,3-4,7-8,10H2/t11-/m1/s1
InChIKeyURAWUFACESGHNV-LLVKDONJSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-nitro-2-[[(3S)-piperidin-3-yl]methylsulfanyl]quinoxaline
CID 97178149
2-(piperidin-3-ylmethylsulfanyl)-1H-benzimidazole;hydrochloride
CID 71637072
2-(2-piperidin-3-ylethoxy)quinoxaline
CID 62360250
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine
CID 97163686
3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
CID 103204980
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
CID 96879943
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
CID 97165192

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline?
The IUPAC name of 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline (CID 97178445) is 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline.
What is the SMILES notation for 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline?
The canonical SMILES for 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline is c1ccc2nc(SC[C@@H]3CCCNC3)cnc2c1.
What is the InChIKey of 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline?
The InChIKey is URAWUFACESGHNV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-6-13-12(5-1)16-9-14(17-13)18-10-11-4-3-7-15-8-11/h1-2,5-6,9,11,15H,3-4,7-8,10H2/t11-/m1/s1.
What are the key properties of 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline?
2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline has a molecular weight of 259.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline is sourced from PubChem (CID 97178445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).