2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline

C19H21N3O3S2 — CID 90560127

IUPAC2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
SMILESCCc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)s1
InChIInChI=1S/C19H21N3O3S2/c1-2-15-7-8-19(26-15)27(23,24)22-11-9-14(10-12-22)25-18-13-20-16-5-3-4-6-17(16)21-18/h3-8,13-14H,2,9-12H2,1H3
InChIKeyUDPRIHVNFWVQDM-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.49
Rot. Bonds5

About 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline

2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline (PubChem CID 90560127) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline.

Molecular Properties

Compound Name2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
PubChem CID90560127
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
SMILESCCc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)s1
InChIInChI=1S/C19H21N3O3S2/c1-2-15-7-8-19(26-15)27(23,24)22-11-9-14(10-12-22)25-18-13-20-16-5-3-4-6-17(16)21-18/h3-8,13-14H,2,9-12H2,1H3
InChIKeyUDPRIHVNFWVQDM-UHFFFAOYSA-N
XLogP3.49
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine
CID 71798897
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109
3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole
CID 126853878
N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560122
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265667
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122248560

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The IUPAC name of 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline (CID 90560127) is 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline.
What is the SMILES notation for 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The canonical SMILES for 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline is CCc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)s1.
What is the InChIKey of 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline?
The InChIKey is UDPRIHVNFWVQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-2-15-7-8-19(26-15)27(23,24)22-11-9-14(10-12-22)25-18-13-20-16-5-3-4-6-17(16)21-18/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline?
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline has a molecular weight of 403.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline is sourced from PubChem (CID 90560127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).