N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine

C14H15Br2NS2 — CID 43493157

IUPACN-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2c(s1)CCC2)c1cc(Br)sc1Br
InChIInChI=1S/C14H15Br2NS2/c1-2-17-13(9-7-12(15)19-14(9)16)11-6-8-4-3-5-10(8)18-11/h6-7,13,17H,2-5H2,1H3
InChIKeyWRJHVQVBXJIPBX-UHFFFAOYSA-N
MW421.22 g/mol
LogP5.52
Rot. Bonds4

About N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine

N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine (PubChem CID 43493157) has the molecular formula C14H15Br2NS2 and a molecular weight of 421.22 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
PubChem CID43493157
Molecular FormulaC14H15Br2NS2
Molecular Weight421.22 g/mol
Exact Mass418.90
IUPAC NameN-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2c(s1)CCC2)c1cc(Br)sc1Br
InChIInChI=1S/C14H15Br2NS2/c1-2-17-13(9-7-12(15)19-14(9)16)11-6-8-4-3-5-10(8)18-11/h6-7,13,17H,2-5H2,1H3
InChIKeyWRJHVQVBXJIPBX-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.22
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43486870
N-[(2,5-dibromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81260634
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 115795104
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 106764437
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850557
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine
CID 43491846
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852558
2-[chloro-(2,5-dibromothiophen-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63436385
N-[(2,3-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115850440
N-[1-benzothiophen-7-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 105022091
N-[(4-bromo-1-ethylpyrazol-5-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 105040385

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine (CID 43493157) is N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine is CCNC(c1cc2c(s1)CCC2)c1cc(Br)sc1Br.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine?
The InChIKey is WRJHVQVBXJIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS2/c1-2-17-13(9-7-12(15)19-14(9)16)11-6-8-4-3-5-10(8)18-11/h6-7,13,17H,2-5H2,1H3.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine?
N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine has a molecular weight of 421.22 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43493157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).