1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane

C9H11NS — CID 44561207

IUPAC1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESc1csc(C23CNCC2C3)c1
InChIInChI=1S/C9H11NS/c1-2-8(11-3-1)9-4-7(9)5-10-6-9/h1-3,7,10H,4-6H2
InChIKeyDMILNTFRFSJCOO-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.61
Rot. Bonds1

About 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane

1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 44561207) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID44561207
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESc1csc(C23CNCC2C3)c1
InChIInChI=1S/C9H11NS/c1-2-8(11-3-1)9-4-7(9)5-10-6-9/h1-3,7,10H,4-6H2
InChIKeyDMILNTFRFSJCOO-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane (CID 44561207) is 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane is c1csc(C23CNCC2C3)c1.
What is the InChIKey of 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is DMILNTFRFSJCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-8(11-3-1)9-4-7(9)5-10-6-9/h1-3,7,10H,4-6H2.
What are the key properties of 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 165.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).