1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine

C14H17NO2S — CID 81431572

IUPAC1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
SMILESCc1ccc2ccccc2c1C(N)CS(C)(=O)=O
InChIInChI=1S/C14H17NO2S/c1-10-7-8-11-5-3-4-6-12(11)14(10)13(15)9-18(2,16)17/h3-8,13H,9,15H2,1-2H3
InChIKeyPSDWGFKKTDRFMJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine

1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine (PubChem CID 81431572) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
PubChem CID81431572
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
SMILESCc1ccc2ccccc2c1C(N)CS(C)(=O)=O
InChIInChI=1S/C14H17NO2S/c1-10-7-8-11-5-3-4-6-12(11)14(10)13(15)9-18(2,16)17/h3-8,13H,9,15H2,1-2H3
InChIKeyPSDWGFKKTDRFMJ-UHFFFAOYSA-N
XLogP2.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81430292
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81480693
3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
CID 81430295
(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430281
N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866
(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430027
(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 107096609
(2-methylnaphthalen-1-yl)-(5-nitrofuran-2-yl)methanamine
CID 81430287
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
(1-methylcyclopentyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81432883

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine (CID 81431572) is 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine is Cc1ccc2ccccc2c1C(N)CS(C)(=O)=O.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine?
The InChIKey is PSDWGFKKTDRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10-7-8-11-5-3-4-6-12(11)14(10)13(15)9-18(2,16)17/h3-8,13H,9,15H2,1-2H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine?
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine has a molecular weight of 263.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine is sourced from PubChem (CID 81431572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).