4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine

C18H23N3O3S2 — CID 110361596

IUPAC4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine
SMILESO=S(=O)(c1cccs1)N1CCN(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C18H23N3O3S2/c22-26(23,18-6-3-15-25-18)21-10-9-20(16-4-1-2-5-17(16)21)8-7-19-11-13-24-14-12-19/h1-6,15H,7-14H2
InChIKeyFCEVHJTWOFLAJG-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.10
Rot. Bonds5

About 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine

4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine (PubChem CID 110361596) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine
PubChem CID110361596
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine
SMILESO=S(=O)(c1cccs1)N1CCN(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C18H23N3O3S2/c22-26(23,18-6-3-15-25-18)21-10-9-20(16-4-1-2-5-17(16)21)8-7-19-11-13-24-14-12-19/h1-6,15H,7-14H2
InChIKeyFCEVHJTWOFLAJG-UHFFFAOYSA-N
XLogP2.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline
CID 110361536
(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 124992631
(2-morpholin-4-ylphenyl) thiophene-2-sulfonate
CID 2813111
2,2-dimethyl-1-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361546
1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104538378
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118897
N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 30469611
(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
CID 9449991
N-(3-morpholin-4-ylpropyl)-N'-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 30484625
4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine
CID 177444989
N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 51698921

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine (CID 110361596) is 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine is O=S(=O)(c1cccs1)N1CCN(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine?
The InChIKey is FCEVHJTWOFLAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-26(23,18-6-3-15-25-18)21-10-9-20(16-4-1-2-5-17(16)21)8-7-19-11-13-24-14-12-19/h1-6,15H,7-14H2.
What are the key properties of 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine?
4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine has a molecular weight of 393.53 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine is sourced from PubChem (CID 110361596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).