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

C12H12BrNS2 — CID 105010507

IUPAC(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
SMILESNC(c1cc2c(s1)CCC2)c1cscc1Br
InChIInChI=1S/C12H12BrNS2/c13-9-6-15-5-8(9)12(14)11-4-7-2-1-3-10(7)16-11/h4-6,12H,1-3,14H2
InChIKeyBMRFTYUZFCHKHJ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.11
Rot. Bonds2

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

(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (PubChem CID 105010507) has the molecular formula C12H12BrNS2 and a molecular weight of 314.27 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
PubChem CID105010507
Molecular FormulaC12H12BrNS2
Molecular Weight314.27 g/mol
Exact Mass312.96
IUPAC Name(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
SMILESNC(c1cc2c(s1)CCC2)c1cscc1Br
InChIInChI=1S/C12H12BrNS2/c13-9-6-15-5-8(9)12(14)11-4-7-2-1-3-10(7)16-11/h4-6,12H,1-3,14H2
InChIKeyBMRFTYUZFCHKHJ-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

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Related Compounds

(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105010695
(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 61102622
(3-bromo-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 106647646
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43384394
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(2-chloro-4,5-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107476054
2-(5-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115840894
[(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 105322532
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
(2-fluoro-5-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115852609
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (CID 105010507) is (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine is NC(c1cc2c(s1)CCC2)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The InChIKey is BMRFTYUZFCHKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS2/c13-9-6-15-5-8(9)12(14)11-4-7-2-1-3-10(7)16-11/h4-6,12H,1-3,14H2.
What are the key properties of (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
(4-bromothiophen-3-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 (4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine is sourced from PubChem (CID 105010507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).