N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine

C14H18N2O2S — CID 105021031

IUPACN-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine
SMILESCCNC(CS(C)(=O)=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H18N2O2S/c1-3-15-14(10-19(2,17)18)12-6-7-13-11(9-12)5-4-8-16-13/h4-9,14-15H,3,10H2,1-2H3
InChIKeyAFROBVAZVDBYII-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.93
Rot. Bonds5

About N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine

N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine (PubChem CID 105021031) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine
PubChem CID105021031
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine
SMILESCCNC(CS(C)(=O)=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H18N2O2S/c1-3-15-14(10-19(2,17)18)12-6-7-13-11(9-12)5-4-8-16-13/h4-9,14-15H,3,10H2,1-2H3
InChIKeyAFROBVAZVDBYII-UHFFFAOYSA-N
XLogP1.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylsulfonyl-1-quinolin-6-ylethyl)hydrazine
CID 105327359
N-ethyl-1-quinolin-6-ylbut-3-en-1-amine
CID 55181079
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine
CID 63097218
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-[(1-methylcyclopentyl)-quinolin-6-ylmethyl]ethanamine
CID 105021107
2-ethoxy-N-ethyl-2-methyl-1-quinolin-6-ylpropan-1-amine
CID 116726919
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
CID 81231447

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine?
The IUPAC name of N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine (CID 105021031) is N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine?
The canonical SMILES for N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine is CCNC(CS(C)(=O)=O)c1ccc2ncccc2c1.
What is the InChIKey of N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine?
The InChIKey is AFROBVAZVDBYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-15-14(10-19(2,17)18)12-6-7-13-11(9-12)5-4-8-16-13/h4-9,14-15H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine?
N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine has a molecular weight of 278.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine is sourced from PubChem (CID 105021031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).