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

C11H14BrNS — CID 130493813

IUPAC3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane
SMILESBrc1ccsc1C1CC2CCC(C1)N2
InChIInChI=1S/C11H14BrNS/c12-10-3-4-14-11(10)7-5-8-1-2-9(6-7)13-8/h3-4,7-9,13H,1-2,5-6H2
InChIKeyFWFDMZSUDGFTSC-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.51
Rot. Bonds1

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

3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 130493813) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane
PubChem CID130493813
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane
SMILESBrc1ccsc1C1CC2CCC(C1)N2
InChIInChI=1S/C11H14BrNS/c12-10-3-4-14-11(10)7-5-8-1-2-9(6-7)13-8/h3-4,7-9,13H,1-2,5-6H2
InChIKeyFWFDMZSUDGFTSC-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromothiophen-2-yl)piperidine
CID 82664967
4-(3-bromothiophen-2-yl)azepane
CID 83261383
3-bromo-2-(2-bromocyclopropyl)thiophene
CID 130539869
(2S)-2-(3-bromothiophen-2-yl)azetidine
CID 130886552
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-N-methylthiophene-2-carboxamide
CID 98490112
3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 115381430
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 116576070
(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130116570
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-propylthiophene-2-sulfonamide
CID 61456072
(2R)-2-(3-bromothiophen-2-yl)piperazine
CID 130612052
(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 58503490
[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine
CID 81010319

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane (CID 130493813) is 3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane is Brc1ccsc1C1CC2CCC(C1)N2.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is FWFDMZSUDGFTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c12-10-3-4-14-11(10)7-5-8-1-2-9(6-7)13-8/h3-4,7-9,13H,1-2,5-6H2.
What are the key properties of 3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane?
3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 272.21 g/mol, XLogP of 3.51, 1 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)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130493813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).