2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine

C15H25N3O3S — CID 110356890

IUPAC2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine
SMILESCOCCS(=O)(=O)N1CCN(CCN(C)C)c2ccccc21
InChIInChI=1S/C15H25N3O3S/c1-16(2)8-9-17-10-11-18(22(19,20)13-12-21-3)15-7-5-4-6-14(15)17/h4-7H,8-13H2,1-3H3
InChIKeyOBIRUGDJXHBBLG-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.85
Rot. Bonds7

About 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine

2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine (PubChem CID 110356890) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine
PubChem CID110356890
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine
SMILESCOCCS(=O)(=O)N1CCN(CCN(C)C)c2ccccc21
InChIInChI=1S/C15H25N3O3S/c1-16(2)8-9-17-10-11-18(22(19,20)13-12-21-3)15-7-5-4-6-14(15)17/h4-7H,8-13H2,1-3H3
InChIKeyOBIRUGDJXHBBLG-UHFFFAOYSA-N
XLogP0.85
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine
CID 110356877
N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033494
(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
CID 110358672
N-ethyl-1-(2-methoxyethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335957
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
CID 110417885
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110355200
3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine
CID 63777500
[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
CID 84512347
4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110358714
1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 110715148
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine (CID 110356890) is 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine is COCCS(=O)(=O)N1CCN(CCN(C)C)c2ccccc21.
What is the InChIKey of 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine?
The InChIKey is OBIRUGDJXHBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-16(2)8-9-17-10-11-18(22(19,20)13-12-21-3)15-7-5-4-6-14(15)17/h4-7H,8-13H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine?
2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine has a molecular weight of 327.45 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 110356890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).