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

C13H13NS — CID 126704810

IUPAC(5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1ccc2sc(C34CNC[C@@H]3C4)cc2c1
InChIInChI=1S/C13H13NS/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2/t10-,13?/m0/s1
InChIKeyLRFFANZEULSABR-NKUHCKNESA-N
MW215.32 g/mol
LogP2.76
Rot. Bonds1

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

(5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 126704810) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID126704810
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name(5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1ccc2sc(C34CNC[C@@H]3C4)cc2c1
InChIInChI=1S/C13H13NS/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2/t10-,13?/m0/s1
InChIKeyLRFFANZEULSABR-NKUHCKNESA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
2,2-bis(1-benzothiophen-2-yl)oxirane
CID 90390877
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde
CID 135285014
2-(1-benzothiophen-2-yl)-6,6-diethyl-1,4-oxazepane
CID 106253305
1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane
CID 140721328
1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol
CID 10105986
1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane
CID 142391765
1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 86062450
1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 140721327
(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
CID 143307302

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (CID 126704810) is (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is c1ccc2sc(C34CNC[C@@H]3C4)cc2c1.
What is the InChIKey of (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is LRFFANZEULSABR-NKUHCKNESA-N. The full InChI is InChI=1S/C13H13NS/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2/t10-,13?/m0/s1.
What are the key properties of (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
(5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 215.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 126704810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).