N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine

C20H22N4O3S — CID 108775153

IUPACN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
SMILESO=S(=O)(c1ccc(CCNc2cnc3ccccc3n2)cc1)N1CCOCC1
InChIInChI=1S/C20H22N4O3S/c25-28(26,24-11-13-27-14-12-24)17-7-5-16(6-8-17)9-10-21-20-15-22-18-3-1-2-4-19(18)23-20/h1-8,15H,9-14H2,(H,21,23)
InChIKeyALIIBBOFKCEUGT-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine

N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine (PubChem CID 108775153) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
PubChem CID108775153
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
SMILESO=S(=O)(c1ccc(CCNc2cnc3ccccc3n2)cc1)N1CCOCC1
InChIInChI=1S/C20H22N4O3S/c25-28(26,24-11-13-27-14-12-24)17-7-5-16(6-8-17)9-10-21-20-15-22-18-3-1-2-4-19(18)23-20/h1-8,15H,9-14H2,(H,21,23)
InChIKeyALIIBBOFKCEUGT-UHFFFAOYSA-N
XLogP2.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9023745
4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline
CID 139019834
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609
6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine
CID 108775128
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 16623351
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
phenyl N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]carbamate
CID 108736618
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9023744

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine?
The IUPAC name of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine (CID 108775153) is N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine?
The canonical SMILES for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine is O=S(=O)(c1ccc(CCNc2cnc3ccccc3n2)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine?
The InChIKey is ALIIBBOFKCEUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-28(26,24-11-13-27-14-12-24)17-7-5-16(6-8-17)9-10-21-20-15-22-18-3-1-2-4-19(18)23-20/h1-8,15H,9-14H2,(H,21,23).
What are the key properties of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine?
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine has a molecular weight of 398.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 108775153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).