1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine

C16H21NO2S2 — CID 64612970

IUPAC1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine
SMILESCCNC(CSc1cccs1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H21NO2S2/c1-4-17-14(11-21-16-6-5-9-20-16)13-10-12(18-2)7-8-15(13)19-3/h5-10,14,17H,4,11H2,1-3H3
InChIKeyZMFPTLPDAQGTTQ-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.21
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine

1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine (PubChem CID 64612970) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine
PubChem CID64612970
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine
SMILESCCNC(CSc1cccs1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H21NO2S2/c1-4-17-14(11-21-16-6-5-9-20-16)13-10-12(18-2)7-8-15(13)19-3/h5-10,14,17H,4,11H2,1-3H3
InChIKeyZMFPTLPDAQGTTQ-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine
CID 64615696
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
CID 64614286
1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 105037382
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927222
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43481960
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489510

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine (CID 64612970) is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine is CCNC(CSc1cccs1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine?
The InChIKey is ZMFPTLPDAQGTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c1-4-17-14(11-21-16-6-5-9-20-16)13-10-12(18-2)7-8-15(13)19-3/h5-10,14,17H,4,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine?
1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine has a molecular weight of 323.48 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine is sourced from PubChem (CID 64612970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).