2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine

C14H16BrNS2 — CID 115848748

IUPAC2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)c1cc2c(s1)CCC2
InChIInChI=1S/C14H16BrNS2/c1-16-11(8-13-10(15)5-6-17-13)14-7-9-3-2-4-12(9)18-14/h5-7,11,16H,2-4,8H2,1H3
InChIKeyIVDPHAZTGYRJOU-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine

2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine (PubChem CID 115848748) has the molecular formula C14H16BrNS2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine
PubChem CID115848748
Molecular FormulaC14H16BrNS2
Molecular Weight342.33 g/mol
Exact Mass340.99
IUPAC Name2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)c1cc2c(s1)CCC2
InChIInChI=1S/C14H16BrNS2/c1-16-11(8-13-10(15)5-6-17-13)14-7-9-3-2-4-12(9)18-14/h5-7,11,16H,2-4,8H2,1H3
InChIKeyIVDPHAZTGYRJOU-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine with MolForge

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Related Compounds

2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115849173
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014840
2-(3-bromothiophen-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115849224
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115843819
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030264
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 105003770
2-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 105030057
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030632
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014417
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylnonan-1-amine
CID 115835124

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine (CID 115848748) is 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine is CNC(Cc1sccc1Br)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine?
The InChIKey is IVDPHAZTGYRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS2/c1-16-11(8-13-10(15)5-6-17-13)14-7-9-3-2-4-12(9)18-14/h5-7,11,16H,2-4,8H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine?
2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine has a molecular weight of 342.33 g/mol, XLogP of 4.56, 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)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115848748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).