2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine

C17H22N2S — CID 46233350

IUPAC2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
SMILESCc1cccc(C)c1-c1cccc(SCCN(C)C)n1
InChIInChI=1S/C17H22N2S/c1-13-7-5-8-14(2)17(13)15-9-6-10-16(18-15)20-12-11-19(3)4/h5-10H,11-12H2,1-4H3
InChIKeyCCRVVFQJXRBXDH-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.02
Rot. Bonds5

About 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine

2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine (PubChem CID 46233350) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
PubChem CID46233350
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
SMILESCc1cccc(C)c1-c1cccc(SCCN(C)C)n1
InChIInChI=1S/C17H22N2S/c1-13-7-5-8-14(2)17(13)15-9-6-10-16(18-15)20-12-11-19(3)4/h5-10H,11-12H2,1-4H3
InChIKeyCCRVVFQJXRBXDH-UHFFFAOYSA-N
XLogP4.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine (CID 46233350) is 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine is Cc1cccc(C)c1-c1cccc(SCCN(C)C)n1.
What is the InChIKey of 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The InChIKey is CCRVVFQJXRBXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13-7-5-8-14(2)17(13)15-9-6-10-16(18-15)20-12-11-19(3)4/h5-10H,11-12H2,1-4H3.
What are the key properties of 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,6-dimethylphenyl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 46233350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).