7-thia-3-azabicyclo[4.2.0]octane

C6H11NS — CID 118210543

IUPAC7-thia-3-azabicyclo[4.2.0]octane
SMILESC1CC2SCC2CN1
InChIInChI=1S/C6H11NS/c1-2-7-3-5-4-8-6(1)5/h5-7H,1-4H2
InChIKeyZJKCWYXRABODPM-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.71
Rot. Bonds

About 7-thia-3-azabicyclo[4.2.0]octane

7-thia-3-azabicyclo[4.2.0]octane (PubChem CID 118210543) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 7-thia-3-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name7-thia-3-azabicyclo[4.2.0]octane
PubChem CID118210543
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name7-thia-3-azabicyclo[4.2.0]octane
SMILESC1CC2SCC2CN1
InChIInChI=1S/C6H11NS/c1-2-7-3-5-4-8-6(1)5/h5-7H,1-4H2
InChIKeyZJKCWYXRABODPM-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
(3R)-3-ethenylpyrrolidine
CID 641531
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
3,7-diazabicyclo[4.2.0]octane
CID 23282823
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 82418792
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104

Frequently Asked Questions

What is the IUPAC name of 7-thia-3-azabicyclo[4.2.0]octane?
The IUPAC name of 7-thia-3-azabicyclo[4.2.0]octane (CID 118210543) is 7-thia-3-azabicyclo[4.2.0]octane.
What is the SMILES notation for 7-thia-3-azabicyclo[4.2.0]octane?
The canonical SMILES for 7-thia-3-azabicyclo[4.2.0]octane is C1CC2SCC2CN1.
What is the InChIKey of 7-thia-3-azabicyclo[4.2.0]octane?
The InChIKey is ZJKCWYXRABODPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-7-3-5-4-8-6(1)5/h5-7H,1-4H2.
What are the key properties of 7-thia-3-azabicyclo[4.2.0]octane?
7-thia-3-azabicyclo[4.2.0]octane has a molecular weight of 129.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thia-3-azabicyclo[4.2.0]octane is sourced from PubChem (CID 118210543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).