2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine

C12H21NOS2 — CID 62578159

IUPAC2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
SMILESCCCCOCCNCCSc1cccs1
InChIInChI=1S/C12H21NOS2/c1-2-3-8-14-9-6-13-7-11-16-12-5-4-10-15-12/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyHBPSQTPBYPORFJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.25
Rot. Bonds10

About 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine

2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine (PubChem CID 62578159) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
PubChem CID62578159
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC Name2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
SMILESCCCCOCCNCCSc1cccs1
InChIInChI=1S/C12H21NOS2/c1-2-3-8-14-9-6-13-7-11-16-12-5-4-10-15-12/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyHBPSQTPBYPORFJ-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

4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine
CID 62578158
N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
CID 62576495
N-(2-butoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557344
N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine
CID 106808177
2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 55092352
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine
CID 62577729
2-butoxy-N-[2-(2,5-dichlorophenyl)sulfanylethyl]ethanamine
CID 63517902
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 65041027
2-(3-methoxypropoxy)-N-(2-phenylsulfanylethyl)ethanamine
CID 103178650

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine (CID 62578159) is 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine is CCCCOCCNCCSc1cccs1.
What is the InChIKey of 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The InChIKey is HBPSQTPBYPORFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-2-3-8-14-9-6-13-7-11-16-12-5-4-10-15-12/h4-5,10,13H,2-3,6-9,11H2,1H3.
What are the key properties of 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine 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 2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 62578159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).