2-[methyl(naphthalen-1-yl)amino]ethanethiol

C13H15NS — CID 115223888

IUPAC2-[methyl(naphthalen-1-yl)amino]ethanethiol
SMILESCN(CCS)c1cccc2ccccc12
InChIInChI=1S/C13H15NS/c1-14(9-10-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,15H,9-10H2,1H3
InChIKeyBUUIFTJVAUCNKE-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.21
Rot. Bonds3

About 2-[methyl(naphthalen-1-yl)amino]ethanethiol

2-[methyl(naphthalen-1-yl)amino]ethanethiol (PubChem CID 115223888) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-[methyl(naphthalen-1-yl)amino]ethanethiol.

Molecular Properties

Compound Name2-[methyl(naphthalen-1-yl)amino]ethanethiol
PubChem CID115223888
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-[methyl(naphthalen-1-yl)amino]ethanethiol
SMILESCN(CCS)c1cccc2ccccc12
InChIInChI=1S/C13H15NS/c1-14(9-10-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,15H,9-10H2,1H3
InChIKeyBUUIFTJVAUCNKE-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
[methyl(naphthalen-1-yl)amino]methylphosphonic acid
CID 19024142
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
CID 115214014
N-ethenyl-N-methylnaphthalen-1-amine
CID 70602093
N,N-dimethyl-4-[2-[methyl(naphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 60572938
N-(2,6-dimethylphenyl)-N-methylnaphthalen-1-amine
CID 163438414
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-1-yl)amino]ethanethiol?
The IUPAC name of 2-[methyl(naphthalen-1-yl)amino]ethanethiol (CID 115223888) is 2-[methyl(naphthalen-1-yl)amino]ethanethiol.
What is the SMILES notation for 2-[methyl(naphthalen-1-yl)amino]ethanethiol?
The canonical SMILES for 2-[methyl(naphthalen-1-yl)amino]ethanethiol is CN(CCS)c1cccc2ccccc12.
What is the InChIKey of 2-[methyl(naphthalen-1-yl)amino]ethanethiol?
The InChIKey is BUUIFTJVAUCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-14(9-10-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,15H,9-10H2,1H3.
What are the key properties of 2-[methyl(naphthalen-1-yl)amino]ethanethiol?
2-[methyl(naphthalen-1-yl)amino]ethanethiol has a molecular weight of 217.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-1-yl)amino]ethanethiol is sourced from PubChem (CID 115223888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).