5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane

C11H14BrNS — CID 131000912

IUPAC5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane
SMILESBrc1ccc(CN2CCC3(CC3)C2)s1
InChIInChI=1S/C11H14BrNS/c12-10-2-1-9(14-10)7-13-6-5-11(8-13)3-4-11/h1-2H,3-8H2
InChIKeyPCRNLGNWGCCJJR-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.50
Rot. Bonds2

About 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane

5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane (PubChem CID 131000912) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane
PubChem CID131000912
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane
SMILESBrc1ccc(CN2CCC3(CC3)C2)s1
InChIInChI=1S/C11H14BrNS/c12-10-2-1-9(14-10)7-13-6-5-11(8-13)3-4-11/h1-2H,3-8H2
InChIKeyPCRNLGNWGCCJJR-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane 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

1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine
CID 79037902
1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728565
1-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylazepane
CID 65282791
1-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709452
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64869691
1-[(5-bromothiophen-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126534
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227
1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 54944633
1-[(5-bromothiophen-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 55166663
1-[(5-bromothiophen-2-yl)methyl]-3-methyl-3-phenyl-1,4-diazepane
CID 64871911
(1-aminocyclohexyl)-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 119832814

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane?
The IUPAC name of 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane (CID 131000912) is 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane is Brc1ccc(CN2CCC3(CC3)C2)s1.
What is the InChIKey of 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane?
The InChIKey is PCRNLGNWGCCJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c12-10-2-1-9(14-10)7-13-6-5-11(8-13)3-4-11/h1-2H,3-8H2.
What are the key properties of 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane?
5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane has a molecular weight of 272.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane is sourced from PubChem (CID 131000912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).