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

C9H11NS — CID 44561253

IUPAC(1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane
SMILESc1cc([C@@]23CNC[C@@H]2C3)cs1
InChIInChI=1S/C9H11NS/c1-2-11-5-7(1)9-3-8(9)4-10-6-9/h1-2,5,8,10H,3-4,6H2/t8-,9+/m0/s1
InChIKeyPGFKJKVDCBANAD-DTWKUNHWSA-N
MW165.26 g/mol
LogP1.61
Rot. Bonds1

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

(1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 44561253) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane
PubChem CID44561253
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane
SMILESc1cc([C@@]23CNC[C@@H]2C3)cs1
InChIInChI=1S/C9H11NS/c1-2-11-5-7(1)9-3-8(9)4-10-6-9/h1-2,5,8,10H,3-4,6H2/t8-,9+/m0/s1
InChIKeyPGFKJKVDCBANAD-DTWKUNHWSA-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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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-fluorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561256
4-(3-Thienyl)piperidine
CID 19847314
1-(4-Methylthiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561250
4-(Thiophen-3-yl)piperidine hydrochloride
CID 45073797
3-(Thiophen-3-yl)piperidine hydrochloride
CID 45073822
2-Methyl-4-(thiophen-3-yl)pyrrolidine
CID 54594904

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane (CID 44561253) is (1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane is c1cc([C@@]23CNC[C@@H]2C3)cs1.
What is the InChIKey of (1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is PGFKJKVDCBANAD-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-11-5-7(1)9-3-8(9)4-10-6-9/h1-2,5,8,10H,3-4,6H2/t8-,9+/m0/s1.
What are the key properties of (1S,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane?
(1S,5R)-1-thiophen-3-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,5R)-1-thiophen-3-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).