N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine

C16H21NOS2 — CID 19917000

IUPACN-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine
SMILESCCNCCSCCOc1cccc(-c2ccsc2)c1
InChIInChI=1S/C16H21NOS2/c1-2-17-7-10-19-11-8-18-16-5-3-4-14(12-16)15-6-9-20-13-15/h3-6,9,12-13,17H,2,7-8,10-11H2,1H3
InChIKeyUHAQFSANABMFKE-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.14
Rot. Bonds9

About N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine

N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine (PubChem CID 19917000) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine
PubChem CID19917000
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC NameN-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine
SMILESCCNCCSCCOc1cccc(-c2ccsc2)c1
InChIInChI=1S/C16H21NOS2/c1-2-17-7-10-19-11-8-18-16-5-3-4-14(12-16)15-6-9-20-13-15/h3-6,9,12-13,17H,2,7-8,10-11H2,1H3
InChIKeyUHAQFSANABMFKE-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.14
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

2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde
CID 54097921
3-(3-pent-4-enoxyphenyl)thiophene
CID 19086978
methyl 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]propanoate
CID 19917015
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
CID 65099364
[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol
CID 54262502
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
CID 82353109
N-ethyl-6,6-dimethyl-N-[2-[2-(3-thiophen-3-ylphenoxy)ethoxy]ethyl]hepta-2,4-diyn-1-amine
CID 19917144
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630
3-[3-[(5Z,8E)-6-ethyl-12,12-dimethyltrideca-5,8-dien-10-ynoxy]phenyl]thiophene
CID 19390177
1-(2-ethylsulfanylethoxy)-3-nitrobenzene
CID 60542074
cyclopenta[c]thiopyran
CID 584139

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine (CID 19917000) is N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine is CCNCCSCCOc1cccc(-c2ccsc2)c1.
What is the InChIKey of N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine?
The InChIKey is UHAQFSANABMFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS2/c1-2-17-7-10-19-11-8-18-16-5-3-4-14(12-16)15-6-9-20-13-15/h3-6,9,12-13,17H,2,7-8,10-11H2,1H3.
What are the key properties of N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine?
N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine has a molecular weight of 307.48 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine is sourced from PubChem (CID 19917000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).