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

C14H17NOS2 — CID 80733329

IUPAC[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
SMILESCSc1ccc(OCc2cc(CN)sc2C)cc1
InChIInChI=1S/C14H17NOS2/c1-10-11(7-14(8-15)18-10)9-16-12-3-5-13(17-2)6-4-12/h3-7H,8-9,15H2,1-2H3
InChIKeyVLJBWWMWRVMWNU-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.82
Rot. Bonds5

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

[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine (PubChem CID 80733329) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
PubChem CID80733329
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC Name[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
SMILESCSc1ccc(OCc2cc(CN)sc2C)cc1
InChIInChI=1S/C14H17NOS2/c1-10-11(7-14(8-15)18-10)9-16-12-3-5-13(17-2)6-4-12/h3-7H,8-9,15H2,1-2H3
InChIKeyVLJBWWMWRVMWNU-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine (CID 80733329) is [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine is CSc1ccc(OCc2cc(CN)sc2C)cc1.
What is the InChIKey of [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine?
The InChIKey is VLJBWWMWRVMWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-10-11(7-14(8-15)18-10)9-16-12-3-5-13(17-2)6-4-12/h3-7H,8-9,15H2,1-2H3.
What are the key properties of [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine?
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine has a molecular weight of 279.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80733329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).