N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine

C16H21N3OS — CID 102926136

IUPACN-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Sc2cc(C)cc(C)n2)nc1
InChIInChI=1S/C16H21N3OS/c1-12-8-13(2)19-16(9-12)21-15-5-4-14(11-18-15)10-17-6-7-20-3/h4-5,8-9,11,17H,6-7,10H2,1-3H3
InChIKeyYUBHTOMCCQFGAI-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.98
Rot. Bonds7

About N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 102926136) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID102926136
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Sc2cc(C)cc(C)n2)nc1
InChIInChI=1S/C16H21N3OS/c1-12-8-13(2)19-16(9-12)21-15-5-4-14(11-18-15)10-17-6-7-20-3/h4-5,8-9,11,17H,6-7,10H2,1-3H3
InChIKeyYUBHTOMCCQFGAI-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650841
2-methoxy-N-[(6-pyrimidin-4-ylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80651407
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650909
2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 106926746
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80651411
N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636920
N-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80651024
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide
CID 114231429
3-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 80650754
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80650829

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine (CID 102926136) is N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Sc2cc(C)cc(C)n2)nc1.
What is the InChIKey of N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is YUBHTOMCCQFGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-8-13(2)19-16(9-12)21-15-5-4-14(11-18-15)10-17-6-7-20-3/h4-5,8-9,11,17H,6-7,10H2,1-3H3.
What are the key properties of N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 303.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 102926136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).