1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine

C9H14BrNS2 — CID 63981561

IUPAC1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNC(C)c1sccc1Br
InChIInChI=1S/C9H14BrNS2/c1-7(11-4-6-12-2)9-8(10)3-5-13-9/h3,5,7,11H,4,6H2,1-2H3
InChIKeyLFXZOWXCWKGQPJ-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.52
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine

1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 63981561) has the molecular formula C9H14BrNS2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
PubChem CID63981561
Molecular FormulaC9H14BrNS2
Molecular Weight280.26 g/mol
Exact Mass278.98
IUPAC Name1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNC(C)c1sccc1Br
InChIInChI=1S/C9H14BrNS2/c1-7(11-4-6-12-2)9-8(10)3-5-13-9/h3,5,7,11H,4,6H2,1-2H3
InChIKeyLFXZOWXCWKGQPJ-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
3-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 115717854
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721977
N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895631
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444
N-[1-(3-bromothiophen-2-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 115890816
N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327100
N-[1-(3-bromothiophen-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763214
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43769411
6-[1-(3-bromothiophen-2-yl)ethylamino]hexan-3-ol
CID 115891853
N-[1-(3-bromothiophen-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 60815874

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine (CID 63981561) is 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine is CSCCNC(C)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is LFXZOWXCWKGQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS2/c1-7(11-4-6-12-2)9-8(10)3-5-13-9/h3,5,7,11H,4,6H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine?
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 280.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 63981561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).