8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane

C12H16BrNS — CID 130964829

IUPAC8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESBrc1ccsc1CN1C2CCCC1CC2
InChIInChI=1S/C12H16BrNS/c13-11-6-7-15-12(11)8-14-9-2-1-3-10(14)5-4-9/h6-7,9-10H,1-5,8H2
InChIKeyFYOHMOSGKLJALN-UHFFFAOYSA-N
MW286.24 g/mol
LogP4.03
Rot. Bonds2

About 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane

8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 130964829) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID130964829
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC Name8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESBrc1ccsc1CN1C2CCCC1CC2
InChIInChI=1S/C12H16BrNS/c13-11-6-7-15-12(11)8-14-9-2-1-3-10(14)5-4-9/h6-7,9-10H,1-5,8H2
InChIKeyFYOHMOSGKLJALN-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromothiophen-2-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-one
CID 130893013
(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
CID 102977246
1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine
CID 63973135
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62546532
1-[(3-bromothiophen-2-yl)methyl]-2-ethylazepane
CID 104691377
1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 130871464
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918697
1-[(3-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219166
1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-2-one
CID 130899090
4-[(3-bromothiophen-2-yl)methyl]-5-methyl-1,4-thiazepane
CID 130834798
2-[(3-bromothiophen-2-yl)methyl]oxazinane
CID 130735612
2-[(3-bromothiophen-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208988

Frequently Asked Questions

What is the IUPAC name of 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane (CID 130964829) is 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane is Brc1ccsc1CN1C2CCCC1CC2.
What is the InChIKey of 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is FYOHMOSGKLJALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c13-11-6-7-15-12(11)8-14-9-2-1-3-10(14)5-4-9/h6-7,9-10H,1-5,8H2.
What are the key properties of 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 286.24 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-bromothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130964829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).