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

C13H15NS2 — CID 79217934

IUPAC1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
SMILESCSc1ccccc1C(N)Cc1cccs1
InChIInChI=1S/C13H15NS2/c1-15-13-7-3-2-6-11(13)12(14)9-10-5-4-8-16-10/h2-8,12H,9,14H2,1H3
InChIKeyLVSFZMSAHHJDQS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds4

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

1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine (PubChem CID 79217934) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
PubChem CID79217934
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC Name1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
SMILESCSc1ccccc1C(N)Cc1cccs1
InChIInChI=1S/C13H15NS2/c1-15-13-7-3-2-6-11(13)12(14)9-10-5-4-8-16-10/h2-8,12H,9,14H2,1H3
InChIKeyLVSFZMSAHHJDQS-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

2-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79206449
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290
1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79218005
1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine
CID 104660039
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 82769620
1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844363
1-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
1-quinolin-8-yl-2-thiophen-2-ylethanamine
CID 81231172
(1R)-1-(2-methylsulfanylphenyl)but-3-en-1-amine
CID 55295815
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956
2-thiophen-2-yl-1-[4-(trifluoromethyl)thiophen-3-yl]ethanamine
CID 112745542

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine (CID 79217934) is 1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine is CSc1ccccc1C(N)Cc1cccs1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine?
The InChIKey is LVSFZMSAHHJDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-15-13-7-3-2-6-11(13)12(14)9-10-5-4-8-16-10/h2-8,12H,9,14H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine?
1-(2-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-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79217934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).