2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine

C17H27N3O2S — CID 110356877

IUPAC2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(S(=O)(=O)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H27N3O2S/c1-18(2)11-12-19-13-14-20(17-10-6-5-9-16(17)19)23(21,22)15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3
InChIKeyGRLYLILJGPFZLQ-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine

2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine (PubChem CID 110356877) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine
PubChem CID110356877
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(S(=O)(=O)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H27N3O2S/c1-18(2)11-12-19-13-14-20(17-10-6-5-9-16(17)19)23(21,22)15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3
InChIKeyGRLYLILJGPFZLQ-UHFFFAOYSA-N
XLogP2.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethylsulfonyl)-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylethanamine
CID 110356890
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
CID 110417885
[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
(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
CID 110358672
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine
CID 54806175
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110355200
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110358678
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948
1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565757

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine (CID 110356877) is 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CCN(S(=O)(=O)C2CCCC2)c2ccccc21.
What is the InChIKey of 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine?
The InChIKey is GRLYLILJGPFZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-18(2)11-12-19-13-14-20(17-10-6-5-9-16(17)19)23(21,22)15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine?
2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine has a molecular weight of 337.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 110356877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).