4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine

C12H21NOS2 — CID 62578158

IUPAC4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine
SMILESCCOCCCCNCCSc1cccs1
InChIInChI=1S/C12H21NOS2/c1-2-14-9-4-3-7-13-8-11-16-12-6-5-10-15-12/h5-6,10,13H,2-4,7-9,11H2,1H3
InChIKeyDLHVDXPFDFREFJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.25
Rot. Bonds10

About 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine

4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine (PubChem CID 62578158) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine
PubChem CID62578158
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC Name4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine
SMILESCCOCCCCNCCSc1cccs1
InChIInChI=1S/C12H21NOS2/c1-2-14-9-4-3-7-13-8-11-16-12-6-5-10-15-12/h5-6,10,13H,2-4,7-9,11H2,1H3
InChIKeyDLHVDXPFDFREFJ-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.25
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-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
CID 62578159
N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
CID 62576495
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-(4-ethoxybutyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55088870
N-[2-(3-bromophenyl)sulfanylethyl]-3-ethoxypropan-1-amine
CID 62804272
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-ethoxy-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 62578334
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine
CID 102925949
4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine
CID 62577779
N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556118
N-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-ethoxypropan-1-amine
CID 63515498

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine (CID 62578158) is 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine is CCOCCCCNCCSc1cccs1.
What is the InChIKey of 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine?
The InChIKey is DLHVDXPFDFREFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-2-14-9-4-3-7-13-8-11-16-12-6-5-10-15-12/h5-6,10,13H,2-4,7-9,11H2,1H3.
What are the key properties of 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine?
4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 62578158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).