1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine

C14H17NO2S2 — CID 64615696

IUPAC1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine
SMILESCOc1ccc(C(N)CSc2cccs2)c(OC)c1
InChIInChI=1S/C14H17NO2S2/c1-16-10-5-6-11(13(8-10)17-2)12(15)9-19-14-4-3-7-18-14/h3-8,12H,9,15H2,1-2H3
InChIKeyUFPXXZVOUGEWHL-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.56
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine

1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine (PubChem CID 64615696) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine
PubChem CID64615696
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine
SMILESCOc1ccc(C(N)CSc2cccs2)c(OC)c1
InChIInChI=1S/C14H17NO2S2/c1-16-10-5-6-11(13(8-10)17-2)12(15)9-19-14-4-3-7-18-14/h3-8,12H,9,15H2,1-2H3
InChIKeyUFPXXZVOUGEWHL-UHFFFAOYSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648622
1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine
CID 64612970
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115861031
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206054
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine (CID 64615696) is 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine is COc1ccc(C(N)CSc2cccs2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine?
The InChIKey is UFPXXZVOUGEWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-16-10-5-6-11(13(8-10)17-2)12(15)9-19-14-4-3-7-18-14/h3-8,12H,9,15H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine?
1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine has a molecular weight of 295.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine is sourced from PubChem (CID 64615696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).