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

C9H10ClNS — CID 83819210

IUPAC2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESClc1ccc(C2NCC3CC32)s1
InChIInChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-6-3-5(6)4-11-9/h1-2,5-6,9,11H,3-4H2
InChIKeyIHLHRCCNEWWNHU-UHFFFAOYSA-N
MW199.71 g/mol
LogP2.68
Rot. Bonds1

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

2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 83819210) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID83819210
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESClc1ccc(C2NCC3CC32)s1
InChIInChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-6-3-5(6)4-11-9/h1-2,5-6,9,11H,3-4H2
InChIKeyIHLHRCCNEWWNHU-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol
CID 82598844
2-(5-chlorothiophen-2-yl)-1,3-oxazolidine
CID 117225747
2-(4-isocyanophenyl)-3-azabicyclo[3.1.0]hexane
CID 176842165
2-azabicyclo[2.1.1]hexan-5-yl-(5-chlorothiophen-2-yl)methanone
CID 130986231
2-chloro-5-(2-methylidenecyclopropyl)thiophene
CID 123448045
3-(5-chlorothiophen-2-yl)-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364176
trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride
CID 89411637
2-chloro-5-(2-ethylcyclopropyl)thiophene
CID 174655040
2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
CID 81014496
[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 155225011
2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole
CID 4018143
2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine
CID 117228170

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (CID 83819210) is 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is Clc1ccc(C2NCC3CC32)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is IHLHRCCNEWWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-6-3-5(6)4-11-9/h1-2,5-6,9,11H,3-4H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 199.71 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83819210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).