1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline

C19H25N3O2S2 — CID 110361536

IUPAC1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline
SMILESO=S(=O)(c1cccs1)N1CCN(CCN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H25N3O2S2/c23-26(24,19-9-6-16-25-19)22-15-14-21(17-7-2-3-8-18(17)22)13-12-20-10-4-1-5-11-20/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyXMXQTORONNUUGB-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.25
Rot. Bonds5

About 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline

1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline (PubChem CID 110361536) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline
PubChem CID110361536
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC Name1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline
SMILESO=S(=O)(c1cccs1)N1CCN(CCN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H25N3O2S2/c23-26(24,19-9-6-16-25-19)22-15-14-21(17-7-2-3-8-18(17)22)13-12-20-10-4-1-5-11-20/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyXMXQTORONNUUGB-UHFFFAOYSA-N
XLogP3.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine
CID 110361596
1-thiophen-2-ylsulfonylpiperidine
CID 765823
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
1-(1-thiophen-2-ylsulfonyl-4,5-dihydroimidazol-2-yl)piperidine
CID 53072000
1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104538378
1-(2-chloroethyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane
CID 63397546
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
CID 170156297
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037
5,7-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 39840756
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline (CID 110361536) is 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline is O=S(=O)(c1cccs1)N1CCN(CCN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline?
The InChIKey is XMXQTORONNUUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c23-26(24,19-9-6-16-25-19)22-15-14-21(17-7-2-3-8-18(17)22)13-12-20-10-4-1-5-11-20/h2-3,6-9,16H,1,4-5,10-15H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline?
1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline has a molecular weight of 391.56 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 110361536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).