1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine

C15H21NOS — CID 102647649

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1cccc(C)c1)C1=CCCCO1
InChIInChI=1S/C15H21NOS/c1-12-6-5-7-13(10-12)18-11-14(16-2)15-8-3-4-9-17-15/h5-8,10,14,16H,3-4,9,11H2,1-2H3
InChIKeySEJLELPPLDUFCB-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 102647649) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
PubChem CID102647649
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1cccc(C)c1)C1=CCCCO1
InChIInChI=1S/C15H21NOS/c1-12-6-5-7-13(10-12)18-11-14(16-2)15-8-3-4-9-17-15/h5-8,10,14,16H,3-4,9,11H2,1-2H3
InChIKeySEJLELPPLDUFCB-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102647655
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 66086804
N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 66088931
N-methyl-2-(3-methylphenyl)sulfanyl-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 112744024
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 102649497
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 103395624

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine (CID 102647649) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine is CNC(CSc1cccc(C)c1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is SEJLELPPLDUFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-6-5-7-13(10-12)18-11-14(16-2)15-8-3-4-9-17-15/h5-8,10,14,16H,3-4,9,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 102647649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).