1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane

C9H10BrNS — CID 44561248

IUPAC1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccc(C23CNCC2C3)s1
InChIInChI=1S/C9H10BrNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2
InChIKeyLSOGATNRWAQFDS-UHFFFAOYSA-N
MW244.16 g/mol
LogP2.37
Rot. Bonds1

About 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane

1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 44561248) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID44561248
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccc(C23CNCC2C3)s1
InChIInChI=1S/C9H10BrNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2
InChIKeyLSOGATNRWAQFDS-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (CID 44561248) is 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is Brc1ccc(C23CNCC2C3)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is LSOGATNRWAQFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 244.16 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).