2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol

C15H19NS — CID 115224440

IUPAC2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol
SMILESCN(CCS)CCc1ccc2ccccc2c1
InChIInChI=1S/C15H19NS/c1-16(10-11-17)9-8-13-6-7-14-4-2-3-5-15(14)12-13/h2-7,12,17H,8-11H2,1H3
InChIKeyNFVVSZOPGGSCDY-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.24
Rot. Bonds5

About 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol

2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol (PubChem CID 115224440) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol
PubChem CID115224440
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol
SMILESCN(CCS)CCc1ccc2ccccc2c1
InChIInChI=1S/C15H19NS/c1-16(10-11-17)9-8-13-6-7-14-4-2-3-5-15(14)12-13/h2-7,12,17H,8-11H2,1H3
InChIKeyNFVVSZOPGGSCDY-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.24
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

2-[methyl(2-naphthalen-2-ylethyl)amino]ethanol
CID 113236296
1-N-methyl-1-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 115197005
[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol
CID 115228492
methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate
CID 115233197
N-(2-naphthalen-2-ylethyl)-N-propylpropan-1-amine
CID 11230589
2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
CID 115129759
(E)-4-[methyl(2-naphthalen-2-ylethyl)amino]but-2-enoic acid
CID 115237385
CID 15863483
CID 15863483
2-N-methyl-2-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 117040198
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol?
The IUPAC name of 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol (CID 115224440) is 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol.
What is the SMILES notation for 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol?
The canonical SMILES for 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol is CN(CCS)CCc1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol?
The InChIKey is NFVVSZOPGGSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-16(10-11-17)9-8-13-6-7-14-4-2-3-5-15(14)12-13/h2-7,12,17H,8-11H2,1H3.
What are the key properties of 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol?
2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol has a molecular weight of 245.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol is sourced from PubChem (CID 115224440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).