5-methylsulfanyl-3-azabicyclo[5.1.0]octane

C8H15NS — CID 170074183

IUPAC5-methylsulfanyl-3-azabicyclo[5.1.0]octane
SMILESCSC1CNCC2CC2C1
InChIInChI=1S/C8H15NS/c1-10-8-3-6-2-7(6)4-9-5-8/h6-9H,2-5H2,1H3
InChIKeyUCHFXUWEDOGFNR-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.35
Rot. Bonds1

About 5-methylsulfanyl-3-azabicyclo[5.1.0]octane

5-methylsulfanyl-3-azabicyclo[5.1.0]octane (PubChem CID 170074183) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5-methylsulfanyl-3-azabicyclo[5.1.0]octane.

Molecular Properties

Compound Name5-methylsulfanyl-3-azabicyclo[5.1.0]octane
PubChem CID170074183
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5-methylsulfanyl-3-azabicyclo[5.1.0]octane
SMILESCSC1CNCC2CC2C1
InChIInChI=1S/C8H15NS/c1-10-8-3-6-2-7(6)4-9-5-8/h6-9H,2-5H2,1H3
InChIKeyUCHFXUWEDOGFNR-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-azabicyclo[5.1.0]octane?
The IUPAC name of 5-methylsulfanyl-3-azabicyclo[5.1.0]octane (CID 170074183) is 5-methylsulfanyl-3-azabicyclo[5.1.0]octane.
What is the SMILES notation for 5-methylsulfanyl-3-azabicyclo[5.1.0]octane?
The canonical SMILES for 5-methylsulfanyl-3-azabicyclo[5.1.0]octane is CSC1CNCC2CC2C1.
What is the InChIKey of 5-methylsulfanyl-3-azabicyclo[5.1.0]octane?
The InChIKey is UCHFXUWEDOGFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-8-3-6-2-7(6)4-9-5-8/h6-9H,2-5H2,1H3.
What are the key properties of 5-methylsulfanyl-3-azabicyclo[5.1.0]octane?
5-methylsulfanyl-3-azabicyclo[5.1.0]octane has a molecular weight of 157.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-azabicyclo[5.1.0]octane is sourced from PubChem (CID 170074183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).