3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine

C10H12BrNS — CID 65174938

IUPAC3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=C(Cc2sccc2Br)CC1
InChIInChI=1S/C10H12BrNS/c11-9-3-4-13-10(9)6-7-1-2-8(12)5-7/h3-5,8H,1-2,6,12H2
InChIKeyDDTVSOPSZOBORN-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.10
Rot. Bonds2

About 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine

3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine (PubChem CID 65174938) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine
PubChem CID65174938
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=C(Cc2sccc2Br)CC1
InChIInChI=1S/C10H12BrNS/c11-9-3-4-13-10(9)6-7-1-2-8(12)5-7/h3-5,8H,1-2,6,12H2
InChIKeyDDTVSOPSZOBORN-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine (CID 65174938) is 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine is NC1C=C(Cc2sccc2Br)CC1.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine?
The InChIKey is DDTVSOPSZOBORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c11-9-3-4-13-10(9)6-7-1-2-8(12)5-7/h3-5,8H,1-2,6,12H2.
What are the key properties of 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine?
3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine has a molecular weight of 258.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromothiophen-2-yl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 65174938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).