2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline

C14H16ClN3O2S — CID 71639761

IUPAC2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
SMILESO=S(=O)(CC1CCCCN1)c1nc2ccccc2nc1Cl
InChIInChI=1S/C14H16ClN3O2S/c15-13-14(18-12-7-2-1-6-11(12)17-13)21(19,20)9-10-5-3-4-8-16-10/h1-2,6-7,10,16H,3-5,8-9H2
InChIKeyYIXIAMRTEJOVKA-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.20
Rot. Bonds3

About 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline

2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline (PubChem CID 71639761) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline.

Molecular Properties

Compound Name2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
PubChem CID71639761
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
SMILESO=S(=O)(CC1CCCCN1)c1nc2ccccc2nc1Cl
InChIInChI=1S/C14H16ClN3O2S/c15-13-14(18-12-7-2-1-6-11(12)17-13)21(19,20)9-10-5-3-4-8-16-10/h1-2,6-7,10,16H,3-5,8-9H2
InChIKeyYIXIAMRTEJOVKA-UHFFFAOYSA-N
XLogP2.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639820
2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
CID 97165961
2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
CID 97162673
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043
2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165916
2-chloro-3-piperidin-4-ylsulfonylquinoxaline
CID 71639759
2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
CID 71645669
(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline?
The IUPAC name of 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline (CID 71639761) is 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline.
What is the SMILES notation for 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline?
The canonical SMILES for 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline is O=S(=O)(CC1CCCCN1)c1nc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline?
The InChIKey is YIXIAMRTEJOVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-13-14(18-12-7-2-1-6-11(12)17-13)21(19,20)9-10-5-3-4-8-16-10/h1-2,6-7,10,16H,3-5,8-9H2.
What are the key properties of 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline?
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline has a molecular weight of 325.82 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline is sourced from PubChem (CID 71639761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).