N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine

C15H19NOS2 — CID 62582791

IUPACN-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
SMILESCOc1cccc(SCCNCCc2ccsc2)c1
InChIInChI=1S/C15H19NOS2/c1-17-14-3-2-4-15(11-14)19-10-8-16-7-5-13-6-9-18-12-13/h2-4,6,9,11-12,16H,5,7-8,10H2,1H3
InChIKeyPADFIQDKFCQWIP-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.68
Rot. Bonds8

About N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine

N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine (PubChem CID 62582791) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
PubChem CID62582791
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC NameN-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
SMILESCOc1cccc(SCCNCCc2ccsc2)c1
InChIInChI=1S/C15H19NOS2/c1-17-14-3-2-4-15(11-14)19-10-8-16-7-5-13-6-9-18-12-13/h2-4,6,9,11-12,16H,5,7-8,10H2,1H3
InChIKeyPADFIQDKFCQWIP-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556181
N-[2-(4-tert-butylphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 63515463
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55093367
N-ethyl-3-(3-methoxyphenyl)sulfanylpropan-1-amine
CID 61385948
2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 65041526
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 82892985
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 83140848
N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
CID 107757303

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine (CID 62582791) is N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine is COc1cccc(SCCNCCc2ccsc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine?
The InChIKey is PADFIQDKFCQWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-17-14-3-2-4-15(11-14)19-10-8-16-7-5-13-6-9-18-12-13/h2-4,6,9,11-12,16H,5,7-8,10H2,1H3.
What are the key properties of N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine?
N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine has a molecular weight of 293.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 62582791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).