1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane

C10H13NS — CID 44561250

IUPAC1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESCc1csc(C23CNCC2C3)c1
InChIInChI=1S/C10H13NS/c1-7-2-9(12-5-7)10-3-8(10)4-11-6-10/h2,5,8,11H,3-4,6H2,1H3
InChIKeyZMLGMGRMDXTQCV-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.92
Rot. Bonds1

About 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane

1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 44561250) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID44561250
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESCc1csc(C23CNCC2C3)c1
InChIInChI=1S/C10H13NS/c1-7-2-9(12-5-7)10-3-8(10)4-11-6-10/h2,5,8,11H,3-4,6H2,1H3
InChIKeyZMLGMGRMDXTQCV-UHFFFAOYSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane (CID 44561250) is 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane is Cc1csc(C23CNCC2C3)c1.
What is the InChIKey of 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is ZMLGMGRMDXTQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-2-9(12-5-7)10-3-8(10)4-11-6-10/h2,5,8,11H,3-4,6H2,1H3.
What are the key properties of 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 179.29 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).