1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine

C16H21BrN4O2S — CID 68504194

IUPAC1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCS(=O)(=O)CCNC1CCN(c2cnc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C16H21BrN4O2S/c1-24(22,23)9-6-18-13-4-7-21(8-5-13)16-11-19-14-3-2-12(17)10-15(14)20-16/h2-3,10-11,13,18H,4-9H2,1H3
InChIKeyXSCFXKPXFPUDKE-UHFFFAOYSA-N
MW413.34 g/mol
LogP2.00
Rot. Bonds5

About 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine

1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine (PubChem CID 68504194) has the molecular formula C16H21BrN4O2S and a molecular weight of 413.34 g/mol. Its IUPAC name is 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine
PubChem CID68504194
Molecular FormulaC16H21BrN4O2S
Molecular Weight413.34 g/mol
Exact Mass412.06
IUPAC Name1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCS(=O)(=O)CCNC1CCN(c2cnc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C16H21BrN4O2S/c1-24(22,23)9-6-18-13-4-7-21(8-5-13)16-11-19-14-3-2-12(17)10-15(14)20-16/h2-3,10-11,13,18H,4-9H2,1H3
InChIKeyXSCFXKPXFPUDKE-UHFFFAOYSA-N
XLogP2.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine?
The IUPAC name of 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine (CID 68504194) is 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine?
The canonical SMILES for 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine is CS(=O)(=O)CCNC1CCN(c2cnc3ccc(Br)cc3n2)CC1.
What is the InChIKey of 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine?
The InChIKey is XSCFXKPXFPUDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O2S/c1-24(22,23)9-6-18-13-4-7-21(8-5-13)16-11-19-14-3-2-12(17)10-15(14)20-16/h2-3,10-11,13,18H,4-9H2,1H3.
What are the key properties of 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine?
1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine has a molecular weight of 413.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine is sourced from PubChem (CID 68504194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).