(5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C11H12BrNO2S — CID 66372043

IUPAC(5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CC2CCC(C1)O2
InChIInChI=1S/C11H12BrNO2S/c12-10-4-3-9(16-10)11(14)13-5-7-1-2-8(6-13)15-7/h3-4,7-8H,1-2,5-6H2
InChIKeyWFLAFQOQGUQBCF-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.51
Rot. Bonds1

About (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66372043) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66372043
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name(5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CC2CCC(C1)O2
InChIInChI=1S/C11H12BrNO2S/c12-10-4-3-9(16-10)11(14)13-5-7-1-2-8(6-13)15-7/h3-4,7-8H,1-2,5-6H2
InChIKeyWFLAFQOQGUQBCF-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 120659073
(5-bromothiophen-2-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 126855280
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(4-sulfanylthiophen-2-yl)methanone
CID 107031825
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688438
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 106839488
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3573996
(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 131160226
(3-bromo-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371650
(3-bromo-2-fluorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 106548067
1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041584

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66372043) is (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1ccc(Br)s1)N1CC2CCC(C1)O2.
What is the InChIKey of (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is WFLAFQOQGUQBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S/c12-10-4-3-9(16-10)11(14)13-5-7-1-2-8(6-13)15-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 302.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66372043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).