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

C9H10ClNS — CID 44561213

IUPAC(1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESClc1ccc([C@@]23CNC[C@@H]2C3)s1
InChIInChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m0/s1
InChIKeyPVSAJDIADUWXDF-RCOVLWMOSA-N
MW199.71 g/mol
LogP2.26
Rot. Bonds1

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

(1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 44561213) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID44561213
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name(1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESClc1ccc([C@@]23CNC[C@@H]2C3)s1
InChIInChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m0/s1
InChIKeyPVSAJDIADUWXDF-RCOVLWMOSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-(Thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561207
(1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561208
(1S,5S)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561209
(cis)-2-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561131
(trans)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561210
(cis)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561211
(1S,5S)-1-(5-chlorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561247
1-(5-(Trifluoromethyl)thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561251
(1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561256
1-(5-Chlorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561289
1-(3,5-Dichlorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561249
1-(4-Methylthiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561250

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (CID 44561213) is (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is Clc1ccc([C@@]23CNC[C@@H]2C3)s1.
What is the InChIKey of (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is PVSAJDIADUWXDF-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m0/s1.
What are the key properties of (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
(1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 199.71 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).