(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine

C12H12BrNS2 — CID 61102622

IUPAC(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)c1cc2c(s1)CCC2
InChIInChI=1S/C12H12BrNS2/c13-11-5-4-9(16-11)12(14)10-6-7-2-1-3-8(7)15-10/h4-6,12H,1-3,14H2
InChIKeySLVOHYFWAAZUGY-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.11
Rot. Bonds2

About (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine

(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (PubChem CID 61102622) has the molecular formula C12H12BrNS2 and a molecular weight of 314.27 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
PubChem CID61102622
Molecular FormulaC12H12BrNS2
Molecular Weight314.27 g/mol
Exact Mass312.96
IUPAC Name(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)c1cc2c(s1)CCC2
InChIInChI=1S/C12H12BrNS2/c13-11-5-4-9(16-11)12(14)10-6-7-2-1-3-8(7)15-10/h4-6,12H,1-3,14H2
InChIKeySLVOHYFWAAZUGY-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115840894
(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 105010507
(3-bromo-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 106647646
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43384394
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649418
(3,5-dimethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115797432
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methoxy-3-methylphenyl)methanamine
CID 43464848
(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
CID 115846126

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (CID 61102622) is (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine is NC(c1ccc(Br)s1)c1cc2c(s1)CCC2.
What is the InChIKey of (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The InChIKey is SLVOHYFWAAZUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS2/c13-11-5-4-9(16-11)12(14)10-6-7-2-1-3-8(7)15-10/h4-6,12H,1-3,14H2.
What are the key properties of (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine has a molecular weight of 314.27 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine is sourced from PubChem (CID 61102622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).