1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine

C13H15NS2 — CID 79218005

IUPAC1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
SMILESCSc1ccc(C(N)Cc2cccs2)cc1
InChIInChI=1S/C13H15NS2/c1-15-11-6-4-10(5-7-11)13(14)9-12-3-2-8-16-12/h2-8,13H,9,14H2,1H3
InChIKeySSBJXZHFLDMVNE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine

1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine (PubChem CID 79218005) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
PubChem CID79218005
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC Name1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
SMILESCSc1ccc(C(N)Cc2cccs2)cc1
InChIInChI=1S/C13H15NS2/c1-15-11-6-4-10(5-7-11)13(14)9-12-3-2-8-16-12/h2-8,13H,9,14H2,1H3
InChIKeySSBJXZHFLDMVNE-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylphenyl)-2-thiophen-2-ylethanamine
CID 62800451
1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79217934
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine
CID 61080147
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine
CID 107288851
2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217518
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
1-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
2-(4-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217380
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105287585

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine (CID 79218005) is 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine is CSc1ccc(C(N)Cc2cccs2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine?
The InChIKey is SSBJXZHFLDMVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-15-11-6-4-10(5-7-11)13(14)9-12-3-2-8-16-12/h2-8,13H,9,14H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine?
1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79218005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).