N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine

C19H24F3N5O3S — CID 67402268

IUPACN-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine
SMILESCN1CCC(C(Oc2nc3ccccc3nc2NS(=O)(=O)NC2CC2)C(F)(F)F)CC1
InChIInChI=1S/C19H24F3N5O3S/c1-27-10-8-12(9-11-27)16(19(20,21)22)30-18-17(26-31(28,29)25-13-6-7-13)23-14-4-2-3-5-15(14)24-18/h2-5,12-13,16,25H,6-11H2,1H3,(H,23,26)
InChIKeyGPKAQOHOZJHPIV-UHFFFAOYSA-N
MW459.49 g/mol
LogP2.69
Rot. Bonds7

About N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine

N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine (PubChem CID 67402268) has the molecular formula C19H24F3N5O3S and a molecular weight of 459.49 g/mol. Its IUPAC name is N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine
PubChem CID67402268
Molecular FormulaC19H24F3N5O3S
Molecular Weight459.49 g/mol
Exact Mass459.16
IUPAC NameN-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine
SMILESCN1CCC(C(Oc2nc3ccccc3nc2NS(=O)(=O)NC2CC2)C(F)(F)F)CC1
InChIInChI=1S/C19H24F3N5O3S/c1-27-10-8-12(9-11-27)16(19(20,21)22)30-18-17(26-31(28,29)25-13-6-7-13)23-14-4-2-3-5-15(14)24-18/h2-5,12-13,16,25H,6-11H2,1H3,(H,23,26)
InChIKeyGPKAQOHOZJHPIV-UHFFFAOYSA-N
XLogP2.69
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine?
The IUPAC name of N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine (CID 67402268) is N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine.
What is the SMILES notation for N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine?
The canonical SMILES for N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine is CN1CCC(C(Oc2nc3ccccc3nc2NS(=O)(=O)NC2CC2)C(F)(F)F)CC1.
What is the InChIKey of N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine?
The InChIKey is GPKAQOHOZJHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O3S/c1-27-10-8-12(9-11-27)16(19(20,21)22)30-18-17(26-31(28,29)25-13-6-7-13)23-14-4-2-3-5-15(14)24-18/h2-5,12-13,16,25H,6-11H2,1H3,(H,23,26).
What are the key properties of N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine?
N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine has a molecular weight of 459.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine is sourced from PubChem (CID 67402268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).