(1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane

C9H11NS — CID 44561209

IUPAC(1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESc1csc([C@]23CNC[C@H]2C3)c1
InChIInChI=1S/C9H11NS/c1-2-8(11-3-1)9-4-7(9)5-10-6-9/h1-3,7,10H,4-6H2/t7-,9-/m1/s1
InChIKeyDMILNTFRFSJCOO-VXNVDRBHSA-N
MW165.26 g/mol
LogP1.61
Rot. Bonds1

About (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane

(1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 44561209) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID44561209
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESc1csc([C@]23CNC[C@H]2C3)c1
InChIInChI=1S/C9H11NS/c1-2-8(11-3-1)9-4-7(9)5-10-6-9/h1-3,7,10H,4-6H2/t7-,9-/m1/s1
InChIKeyDMILNTFRFSJCOO-VXNVDRBHSA-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 (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane (CID 44561209) is (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane is c1csc([C@]23CNC[C@H]2C3)c1.
What is the InChIKey of (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is DMILNTFRFSJCOO-VXNVDRBHSA-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/t7-,9-/m1/s1.
What are the key properties of (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
(1S,5S)-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 (1S,5S)-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).