2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine

C14H17NOS — CID 115632533

IUPAC2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
SMILESCS(=O)CCNCc1ccc2ccccc2c1
InChIInChI=1S/C14H17NOS/c1-17(16)9-8-15-11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10,15H,8-9,11H2,1H3
InChIKeyYPMZBJGQJOQQOU-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.31
Rot. Bonds5

About 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine

2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine (PubChem CID 115632533) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
PubChem CID115632533
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
SMILESCS(=O)CCNCc1ccc2ccccc2c1
InChIInChI=1S/C14H17NOS/c1-17(16)9-8-15-11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10,15H,8-9,11H2,1H3
InChIKeyYPMZBJGQJOQQOU-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-[(S)-methylsulfinyl]ethanamine
CID 97070832
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496
3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 54905759
N-[[3-(methoxymethyl)phenyl]methyl]-2-methylsulfinylethanamine
CID 115654099
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfinylethanamine
CID 115702492
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706
N'-(naphthalen-2-ylmethyl)-N-[2-[2-[6-(naphthalen-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
CID 10461677
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632650
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine (CID 115632533) is 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine is CS(=O)CCNCc1ccc2ccccc2c1.
What is the InChIKey of 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine?
The InChIKey is YPMZBJGQJOQQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-17(16)9-8-15-11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10,15H,8-9,11H2,1H3.
What are the key properties of 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine?
2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine is sourced from PubChem (CID 115632533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).