N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine

C15H19NOS2 — CID 107558912

IUPACN-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(SC)cc2)s1
InChIInChI=1S/C15H19NOS2/c1-3-16-10-14-8-9-15(19-14)11-17-12-4-6-13(18-2)7-5-12/h4-9,16H,3,10-11H2,1-2H3
InChIKeyDOALOKZBMHBCRB-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.16
Rot. Bonds7

About N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107558912) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107558912
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC NameN-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(SC)cc2)s1
InChIInChI=1S/C15H19NOS2/c1-3-16-10-14-8-9-15(19-14)11-17-12-4-6-13(18-2)7-5-12/h4-9,16H,3,10-11H2,1-2H3
InChIKeyDOALOKZBMHBCRB-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974
N-[[3-[(4-methylsulfanylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63649093
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
2-(4-methylsulfanylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63648590
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558136
N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558332
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558402
N-[[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558537
2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558356

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine (CID 107558912) is N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COc2ccc(SC)cc2)s1.
What is the InChIKey of N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is DOALOKZBMHBCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-3-16-10-14-8-9-15(19-14)11-17-12-4-6-13(18-2)7-5-12/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 293.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).