2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine

C11H16BrNS2 — CID 105139532

IUPAC2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
SMILESCNC(Cc1sccc1Br)C1CCSC1
InChIInChI=1S/C11H16BrNS2/c1-13-10(8-2-4-14-7-8)6-11-9(12)3-5-15-11/h3,5,8,10,13H,2,4,6-7H2,1H3
InChIKeyHIBPHWPIDZCQSB-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine

2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine (PubChem CID 105139532) has the molecular formula C11H16BrNS2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
PubChem CID105139532
Molecular FormulaC11H16BrNS2
Molecular Weight306.29 g/mol
Exact Mass304.99
IUPAC Name2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
SMILESCNC(Cc1sccc1Br)C1CCSC1
InChIInChI=1S/C11H16BrNS2/c1-13-10(8-2-4-14-7-8)6-11-9(12)3-5-15-11/h3,5,8,10,13H,2,4,6-7H2,1H3
InChIKeyHIBPHWPIDZCQSB-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
2-(3-bromothiophen-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 112681190
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105172123
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
[2-(3-bromothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446358
[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249733
2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65410469
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
CID 65411121

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine (CID 105139532) is 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine is CNC(Cc1sccc1Br)C1CCSC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine?
The InChIKey is HIBPHWPIDZCQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS2/c1-13-10(8-2-4-14-7-8)6-11-9(12)3-5-15-11/h3,5,8,10,13H,2,4,6-7H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine?
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine has a molecular weight of 306.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105139532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).