2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline

C12H12ClN3S — CID 71639811

IUPAC2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline
SMILESClc1nc2ccccc2nc1S[C@@H]1CCNC1
InChIInChI=1S/C12H12ClN3S/c13-11-12(17-8-5-6-14-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8,14H,5-7H2/t8-/m1/s1
InChIKeyYQIJNTGUYFZTAK-MRVPVSSYSA-N
MW265.77 g/mol
LogP2.74
Rot. Bonds2

About 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline

2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline (PubChem CID 71639811) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline.

Molecular Properties

Compound Name2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline
PubChem CID71639811
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline
SMILESClc1nc2ccccc2nc1S[C@@H]1CCNC1
InChIInChI=1S/C12H12ClN3S/c13-11-12(17-8-5-6-14-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8,14H,5-7H2/t8-/m1/s1
InChIKeyYQIJNTGUYFZTAK-MRVPVSSYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639828
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole
CID 71637241
2-pyrrolidin-3-ylsulfanyl-1,3-benzothiazole
CID 62328809
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole;hydrochloride
CID 71637240
3-phenylsulfanylpyrrolidine
CID 18337182
2-chloro-3-(pyrrolidin-3-ylmethyl)quinoline
CID 116985205
(3R)-3-(3,4-dichlorophenyl)sulfanylpyrrolidine
CID 94844656
2-chloro-3-pyrrolidin-3-ylquinoline
CID 116985200
2-chloro-3-(piperidin-4-ylmethoxy)quinoxaline
CID 71640763
4-chloro-5-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71638126
bis(3-(3,4-dichlorophenyl)sulfanylpyrrolidine);hydrate;dihydrochloride
CID 131714712
N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 63301282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline?
The IUPAC name of 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline (CID 71639811) is 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline.
What is the SMILES notation for 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline?
The canonical SMILES for 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline is Clc1nc2ccccc2nc1S[C@@H]1CCNC1.
What is the InChIKey of 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline?
The InChIKey is YQIJNTGUYFZTAK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c13-11-12(17-8-5-6-14-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8,14H,5-7H2/t8-/m1/s1.
What are the key properties of 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline?
2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline has a molecular weight of 265.77 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline is sourced from PubChem (CID 71639811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).