N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine

C16H21NO2S — CID 64646583

IUPACN-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
SMILESCCNC(CS(=O)(=O)CC)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO2S/c1-3-17-16(12-20(18,19)4-2)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17H,3-4,12H2,1-2H3
InChIKeyZUEHVILLWWNKKJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine

N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine (PubChem CID 64646583) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
PubChem CID64646583
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
SMILESCCNC(CS(=O)(=O)CC)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO2S/c1-3-17-16(12-20(18,19)4-2)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17H,3-4,12H2,1-2H3
InChIKeyZUEHVILLWWNKKJ-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
CID 63192640
N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
CID 64644731
N-ethyl-4-methyl-1-naphthalen-2-ylpentan-1-amine
CID 63417061
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
CID 63416626
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174
N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine
CID 105021031
N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
CID 64646605
methyl 2-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]sulfonylacetate
CID 64673783
2-(2-cyclopropylethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
CID 106200656
N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine
CID 115851123
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine?
The IUPAC name of N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine (CID 64646583) is N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine is CCNC(CS(=O)(=O)CC)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine?
The InChIKey is ZUEHVILLWWNKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-17-16(12-20(18,19)4-2)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17H,3-4,12H2,1-2H3.
What are the key properties of N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine?
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 64646583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).