5-thia-2-azabicyclo[5.2.0]nonane

C7H13NS — CID 118210053

IUPAC5-thia-2-azabicyclo[5.2.0]nonane
SMILESC1CSCC2CCC2N1
InChIInChI=1S/C7H13NS/c1-2-7-6(1)5-9-4-3-8-7/h6-8H,1-5H2
InChIKeyLKXKPCSNJNBGCQ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.10
Rot. Bonds

About 5-thia-2-azabicyclo[5.2.0]nonane

5-thia-2-azabicyclo[5.2.0]nonane (PubChem CID 118210053) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-thia-2-azabicyclo[5.2.0]nonane.

Molecular Properties

Compound Name5-thia-2-azabicyclo[5.2.0]nonane
PubChem CID118210053
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-thia-2-azabicyclo[5.2.0]nonane
SMILESC1CSCC2CCC2N1
InChIInChI=1S/C7H13NS/c1-2-7-6(1)5-9-4-3-8-7/h6-8H,1-5H2
InChIKeyLKXKPCSNJNBGCQ-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-thia-2-azabicyclo[5.2.0]nonane?
The IUPAC name of 5-thia-2-azabicyclo[5.2.0]nonane (CID 118210053) is 5-thia-2-azabicyclo[5.2.0]nonane.
What is the SMILES notation for 5-thia-2-azabicyclo[5.2.0]nonane?
The canonical SMILES for 5-thia-2-azabicyclo[5.2.0]nonane is C1CSCC2CCC2N1.
What is the InChIKey of 5-thia-2-azabicyclo[5.2.0]nonane?
The InChIKey is LKXKPCSNJNBGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-7-6(1)5-9-4-3-8-7/h6-8H,1-5H2.
What are the key properties of 5-thia-2-azabicyclo[5.2.0]nonane?
5-thia-2-azabicyclo[5.2.0]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thia-2-azabicyclo[5.2.0]nonane is sourced from PubChem (CID 118210053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).