4-thia-1-azabicyclo[5.2.0]nonane

C7H13NS — CID 118209966

IUPAC4-thia-1-azabicyclo[5.2.0]nonane
SMILESC1CC2CCN2CCS1
InChIInChI=1S/C7H13NS/c1-3-8-4-6-9-5-2-7(1)8/h7H,1-6H2
InChIKeyHFYGPQIMLOEDJM-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.20
Rot. Bonds

About 4-thia-1-azabicyclo[5.2.0]nonane

4-thia-1-azabicyclo[5.2.0]nonane (PubChem CID 118209966) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 4-thia-1-azabicyclo[5.2.0]nonane.

Molecular Properties

Compound Name4-thia-1-azabicyclo[5.2.0]nonane
PubChem CID118209966
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name4-thia-1-azabicyclo[5.2.0]nonane
SMILESC1CC2CCN2CCS1
InChIInChI=1S/C7H13NS/c1-3-8-4-6-9-5-2-7(1)8/h7H,1-6H2
InChIKeyHFYGPQIMLOEDJM-UHFFFAOYSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine
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4-(thiolan-3-yl)piperazin-1-amine
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4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
CID 118790214
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Frequently Asked Questions

What is the IUPAC name of 4-thia-1-azabicyclo[5.2.0]nonane?
The IUPAC name of 4-thia-1-azabicyclo[5.2.0]nonane (CID 118209966) is 4-thia-1-azabicyclo[5.2.0]nonane.
What is the SMILES notation for 4-thia-1-azabicyclo[5.2.0]nonane?
The canonical SMILES for 4-thia-1-azabicyclo[5.2.0]nonane is C1CC2CCN2CCS1.
What is the InChIKey of 4-thia-1-azabicyclo[5.2.0]nonane?
The InChIKey is HFYGPQIMLOEDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-8-4-6-9-5-2-7(1)8/h7H,1-6H2.
What are the key properties of 4-thia-1-azabicyclo[5.2.0]nonane?
4-thia-1-azabicyclo[5.2.0]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thia-1-azabicyclo[5.2.0]nonane is sourced from PubChem (CID 118209966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).